Scientific name	Authority	First published in
Nasturtium thaliana	Andrz. ex DC.	Syst. Nat. 2: 226 (1821)
Pilosella thaliana	(L.) Kostel.	Index Seminum [Prague] 104. 1844
Sisymbrium pumilio	Oliv.	Fl. Trop. Afr. 1: 64 (1868)
Sisymbrium thalianum	J.Gay	Ann. Sci. Nat. (Paris) 7: 399 (1826)
Sisymbrium simplicissimum	S.G.Gmel.	Reise Russland 3: 303 (1774)
Arabidopsis thaliana var. apetala	O.E.Schulz	Pflanzenr. , IV, 105(86): 274 (1924)
Arabidopsis thaliana var. pusilla	(Hochst. ex A.Rich.) O.E.Schulz	Pflanzenr. IV, 105(86): 274 1924
Arabis parviflora	Raf.	Amer. Monthly Mag. & Crit. Rev. 2: 43 (1817)
Arabis pubicalyx	Miq.	Ann. Mus. Bot. Lugduno-Batavi 2: 72 (1865)
Arabis pubicalyx var. soyensis	H.Boissieu	Bull. Herb. Boissier 7: 788 1899
Arabis ramosa	Lam.	Fl. Franç. 2: 510 (1779)
Arabis scabra	Gilib.	Fl. Lit. Inch. ii. 61. 1782
Arabis thaliana	L.	Sp. Pl. : 665 (1753)
Arabis thaliana var. pubicalyx	(Miq.) Makino	Somoku-Dzusetsu ed. 3, 3: 12 1912
Cardamine pusilla	Hochst. ex A.Rich.	Tent. Fl. Abyss. 1: 18 (1847)
Conringia thaliana	Rchb.	Icon. Fl. Germ. Helv. 2: t. 60, f. 4380 (1838)
Crucifera thaliana	E.H.L.Krause	Deutschl. Fl. Abbild. , ed. 2, 6: 86 (1902)
Erysimum pubicalyx	Kuntze	Revis. Gen. Pl. 2: 933 (1891)
Erysimum thalianum	Kitt.	Taschenb. Fl. Deutschl. , ed. 2: 899 (1844)
Hesperis thaliana	Kuntze	Revis. Gen. Pl. 2: 935 (1891)
Phryne gesneri	Bubani	Fl. Pyren. 3: 176 (1901)
Arabidopsis thaliana var. brachycarpa	Andr.	Index Horti Bot. Univ. Budapest. 3: 25. 1938
Arabidopsis thaliana var. genuina	Briq.	Prodr. Fl. Corse 2(1): 38. 1913
Stenophragma thalianum	Čelak.	Arch. Naturwiss. Landesdurchf. Bohmen iii. (1875) 445.
Sisymbrium thalianum	(L.) Gaudin	Fl. Helv. 4: 348 1829

Common names Top

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Filter by language:

Language	Common/alternative name
English	mouse-ear cress
English	mouseear cress
English	thale cress
Spanish	oruga
Arabic	رشاد أذن الفأر
Belarusian	разухавідка Таля
Catalan	arabette de thalius
Catalan	arabette des dames
Catalan	fausse arabette
Czech	huseníček rolní
Czech	huseníček thalův
Welsh	berwr y fagwyr
Danish	almindelig gåsemad
German	ackerschmalwand
German	arabette de thalius
German	arabette des dames
German	fausse arabette
German	gänserauke
German	mausohrkresse
German	schottenkresse
German	thurnkohl
German	schotenkresse
German	acker-schmalwand
Estonian	harilik müürlook
Persian	آرابیدوپسیس تالیانا
Persian	ارابیدوپسیس تالیانا
Finnish	hentolituruoho
Finnish	lituruoho
French	fausse arabette
French	arabette rameuse
French	arabette de thalius
French	arabette des dames
Irish	tailís
Hebrew	אראבידופסיס
Hebrew	ארבידופסיס
Hebrew	תודרנית
Hebrew	תודרנית לבנה
Croatian	talijin uročnjak
Upper Sorbian	rólna skopička
Hungarian	lúdfű
Igbo	mouse-ear cress
Igbo	thale cress
Italian	arabetta comune
Japanese	アラビドプシス
Japanese	シロイヌナズナ
Korean	애기장대
la	pilosella siliquosa minor
Lithuanian	arabette de thalius
Lithuanian	arabette des dames
Lithuanian	fausse arabette
Lithuanian	baltažiedis vairenis
Latvian	tāla sīkplikstiņš
Malayalam	അറബിഡോപ്സിസ് താലിയാന
Norwegian Bokmål	vårskrinneblom
Dutch	zandraket
Norwegian Nynorsk	vårskrinneblom
Norwegian Nynorsk	a. thaliana
Polish	rzodkiewnik pospolity
Russian	Резуховидка Таля
Russian	Арабидопсис
Slovak	arábkovka thalova
Slovenian	navadni repnjakovec
Swedish	fausse arabette
Swedish	arabette des dames
Swedish	arabette de thalius
Swedish	backtrav
Ukrainian	арабідопсис
Ukrainian	різушка Таля
vls	zandrakette
Chinese	阿拉伯芥
Chinese	拟南芥菜
Chinese	鼠耳芥
Chinese	拟南芥

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- East Tropical Africa
  - Kenya
  - Tanzania
  - Uganda
- Macaronesia
  - Azores
  - Canary Islands
  - Cape Verde
  - Madeira
- Northeast Tropical Africa
  - Djibouti
  - Eritrea
  - Ethiopia
  - Somalia
  - Sudan
- Northern Africa
  - Algeria
  - Libya
  - Morocco
  - Tunisia
- Southern Africa
  - Cape Provinces
- West-central Tropical Africa
  - Rwanda
  - Zaïre

Antarctica click to expand
- Subantarctic Islands
  - Kerguelen

Asia-temperate click to expand
- Arabian Peninsula
  - Saudi Arabia
- Caucasus
  - North Caucasus
  - Transcaucasus
- China
  - China North-central
  - China South-central
  - China Southeast
  - Tibet
  - Xinjiang
- Eastern Asia
  - Japan
  - Korea
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Uzbekistan
- Mongolia
  - Mongolia
- Siberia
  - Altay
  - Krasnoyarsk
  - Tuva
  - West Siberia
- Western Asia
  - Afghanistan
  - Cyprus
  - East Aegean Islands
  - Iran
  - Lebanon-Syria
  - Palestine
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - East Himalaya
  - Nepal
  - Pakistan
  - West Himalaya

Australasia click to expand
- Australia
  - New South Wales
  - Tasmania
- New Zealand
  - New Zealand North
  - New Zealand South

Europe click to expand
- Eastern Europe
  - Baltic States
  - Belarus
  - Central European Russia
  - East European Russia
  - Krym
  - North European Russia
  - Northwest European Russia
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Belgium
  - Czechoslovakia
  - Germany
  - Hungary
  - Netherlands
  - Poland
  - Switzerland
- Northern Europe
  - Denmark
  - Finland
  - Great Britain
  - Ireland
  - Norway
  - Sweden
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Kriti
  - Romania
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - Corse
  - France
  - Portugal
  - Sardegna
  - Spain

Northern America click to expand
- Eastern Canada
  - Newfoundland
  - Ontario
  - Québec
- North-central U.S.A.
  - Illinois
  - Iowa
  - Missouri
  - Oklahoma
  - Wisconsin
- Northeastern U.S.A.
  - Connecticut
  - Indiana
  - Maine
  - Massachusetts
  - Michigan
  - New Hampshire
  - New Jersey
  - New York
  - Ohio
  - Pennsylvania
  - Rhode Island
  - Vermont
  - West Virginia
- Northwestern U.S.A.
  - Idaho
  - Montana
  - Oregon
  - Washington
- South-central U.S.A.
  - New Mexico
  - Texas
- Southeastern U.S.A.
  - Alabama
  - Arkansas
  - Delaware
  - District Of Columbia
  - Georgia
  - Kentucky
  - Louisiana
  - Maryland
  - Mississippi
  - North Carolina
  - South Carolina
  - Tennessee
  - Virginia
- Southwestern U.S.A.
  - California
  - Utah
- Western Canada
  - British Columbia

Southern America click to expand
- Southern South America
  - Argentina South
  - Chile Central
  - Chile South
  - Uruguay

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000541830
UNII	AI3L60HQ81
Flora of Alabama	1203
Canadensys	3883
USDA Plants	ARTH
Tropicos	4100029
INPN	83272
Flora of Italy	1330
KEW	urn:lsid:ipni.org:names:277970-1
The Plant List	kew-2645262
Plantarium	3394
Open Tree Of Life	309263
Observations.org	6303
NCBI Taxonomy	3702
NBN Atlas	NBNSYS0000002913
Nature Serve	2.148047
IPNI	277970-1
iNaturalist	55021
GBIF	3052436
Freebase	/m/0984q
WisFlora	8022
EPPO	ARBTH
EOL	583954
Elurikkus	2849
Calflora (Californian flora)	433
US Library of Congress	sh88022562
USDA GRIN	3769
Wikipedia	Arabidopsis_thaliana
CMAUP	NPO19866

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCF_000001735.4	TAIR10.1	Chromosome	The Arabidopsis Information Resource (TAIR)	2018-03-15	N/A	113.63 Mb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

BEERS2: RNA-Seq simulation through high fidelity in silico modeling

Brooks TG, Lahens NF, Mrčela A, Sarantopoulou D, Nayak S, Naik A, Sengupta S, Choi PS, Grant GR

Brief Bioinform

11-Apr-2024

PMCID:	PMC11009461
doi:	10.1093/bib/bbae164
PMID:	38605641

Self-supervised learning on millions of primary RNA sequences from 72 vertebrates improves sequence-based RNA splicing prediction

Chen K, Zhou Y, Ding M, Wang Y, Ren Z, Yang Y

Brief Bioinform

11-Apr-2024

PMCID:	PMC11009468
doi:	10.1093/bib/bbae163
PMID:	38605640

Three de novo assembled wild cacao genomes from the Upper Amazon

Nousias O, Zheng J, Li T, Meinhardt LW, Bailey B, Gutierrez O, Baruah IK, Cohen SP, Zhang D, Yin Y

Sci Data

11-Apr-2024

PMCID:	PMC11009333
doi:	10.1038/s41597-024-03215-1
PMID:	38605066

Developmentally dependent reprogramming of the Arabidopsis floral transcriptome under sufficient and limited water availability

Ma X, Wang J, Su Z, Ma H

BMC Plant Biol

11-Apr-2024

PMCID:	PMC11007919
doi:	10.1186/s12870-024-04916-w
PMID:	38605371

Genetically encoded transcriptional plasticity underlies stress adaptation in Mycobacterium tuberculosis

Bei C, Zhu J, Culviner PH, Gan M, Rubin EJ, Fortune SM, Gao Q, Liu Q

Nat Commun

10-Apr-2024

PMCID:	PMC11006872
doi:	10.1038/s41467-024-47410-5
PMID:	38600064

Chloroplast genomes of Caragana tibetica and Caragana turkestanica: structures and comparative analysis

Liu L, Li H, Li J, Li X, Hu N, Sun J, Zhou W

BMC Plant Biol

09-Apr-2024

PMCID:	PMC11003120
doi:	10.1186/s12870-024-04979-9
PMID:	38594633

Vineyard microclimate alterations induced by black inter-row mulch through transcriptome reshaped the flavoromics of cabernet sauvignon grapes

Tian MB, Wang Y, Gao XT, Lu HC, Zhang Q, Han X, Li HQ, Shi N, Duan CQ, Wang J

BMC Plant Biol

09-Apr-2024

PMCID:	PMC11003005
doi:	10.1186/s12870-024-04986-w
PMID:	38594637

Csn5 inhibits autophagy by regulating the ubiquitination of Atg6 and Tor to mediate the pathogenicity of Magnaporthe oryzae

Shen ZF, Li L, Wang JY, Liao J, Zhang YR, Zhu XM, Wang ZH, Lu JP, Liu XH, Lin FC

Cell Commun Signal

09-Apr-2024

PMCID:	PMC11003145
doi:	10.1186/s12964-024-01598-7
PMID:	38594767

Genome-wide analysis and expression profiling of the HD-ZIP gene family in kiwifruit

Ye KY, Li JW, Wang FM, Gao JY, Liu CX, Gong HJ, Qi BB, Liu PP, Jiang QS, Tang JM, Mo QH

BMC Genomics

09-Apr-2024

PMCID:	PMC11003167
doi:	10.1186/s12864-024-10025-7
PMID:	38594645

Transcriptional and metabolic profiling of sulfur starvation response in two monocots

Zenzen I, Cassol D, Westhoff P, Kopriva S, Ristova D

BMC Plant Biol

09-Apr-2024

PMCID:	PMC11003109
doi:	10.1186/s12870-024-04948-2
PMID:	38594609

Origin, evolution, and diversification of inositol 1,4,5-trisphosphate 3-kinases in plants and animals

Xiong T, Zhang Z, Fan T, Ye F, Ye Z

BMC Genomics

08-Apr-2024

PMCID:	PMC11000326
doi:	10.1186/s12864-024-10257-7
PMID:	38589807

Utilizing plasma-generated N2O5 gas from atmospheric air as a novel gaseous nitrogen source for plants

Yamanashi T, Takeshi S, Sasaki S, Takashima K, Kaneko T, Ishimaru Y, Uozumi N

Plant Mol Biol

08-Apr-2024

PMCID:	PMC11001677
doi:	10.1007/s11103-024-01438-9
PMID:	38587705

Growth directions and stiffness across cell layers determine whether tissues stay smooth or buckle

Yadav AS, Hong L, Klees PM, Kiss A, Petit M, He X, Barrios IM, Heeney M, Galang AM, Smith RS, Boudaoud A, Roeder AH

bioRxiv

08-Apr-2024

PMCID:	PMC10401922
doi:	10.1101/2023.07.22.549953
PMID:	37546730

Genetic dissection of the tissue‐specific roles of type III effectors and phytotoxins in the pathogenicity of Pseudomonas syringae pv. syringae to cherry

Vadillo‐Dieguez A, Zeng Z, Mansfield JW, Grinberg NF, Lynn SC, Gregg A, Connell J, Harrison RJ, Jackson RW, Hulin MT

Mol Plant Pathol

08-Apr-2024

PMCID:	PMC11002349
doi:	10.1111/mpp.13451
PMID:	38590135

Comparative transcriptional analysis of Persea americana MYB, WRKY and AP2/ERF transcription factors following Phytophthora cinnamomi infection

Fick A, Swart V, Bombarely A, van den Berg N

Mol Plant Pathol

08-Apr-2024

PMCID:	PMC11002358
doi:	10.1111/mpp.13453
PMID:	38590150

Phytochemical Profile Top

Add a new one!

Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives
Trigonelline	5570	Click to see C[N+]1=CC=CC(=C1)C(=O)[O-]	137.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Alkaloids and derivatives / Aspidofractine alkaloids
dimethyl (1R,4S,12R,13S,16R)-7,8-dimethoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9,19-tetraene-4,5-dicarboxylate	163002886	Click to see COC1=C(C2=C(C=C1)C34C5CN6C3C(CCC4(N2C(=O)OC)C(=O)OC)(CC5=O)C=CC6)OC	468.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
dimethyl (1S,4S,12R,13S,16R)-7-methoxy-17,21-dioxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4,5-dicarboxylate	162988400	Click to see COC1=CC=CC2=C1N(C3(C24C5CN6C4C(CCC6=O)(CC3)CC5=O)C(=O)OC)C(=O)OC	454.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
methyl (1R,4S,12R,13S,16R)-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9,19-tetraene-4-carboxylate	162971561	Click to see COC1=CC=CC2=C1NC3(C24C5CN6C4C(CC3)(CC5=O)C=CC6)C(=O)OC	380.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
> Alkaloids and derivatives / Lupin alkaloids / Cytisine and derivatives
(1S,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-6,10-dione	15939875	Click to see C1C2CNC(=O)C1CN3C2=CC=CC3=O	204.22	unknown	https://doi.org/10.1111/J.1365-313X.2004.02225.X
> Benzenoids / Benzene and substituted derivatives
Benzeneacetaldehyde, oxime	99748	Click to see C1=CC=C(C=C1)CC=NO	135.16	unknown	https://doi.org/10.1074/JBC.275.19.14659
Z-Phenylacetaldoxime	5939523	Click to see C1=CC=C(C=C1)CC=NO	135.16	unknown	https://doi.org/10.1074/JBC.275.19.14659
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Aminobenzoic acids and derivatives / Aminobenzoic acids
4-Aminobenzoic acid	978	Click to see C1=CC(=CC=C1C(=O)O)N	137.14	unknown	via CMAUP database
Anthranilic acid	227	Click to see C1=CC=C(C(=C1)C(=O)O)N	137.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC520969/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Benzoylcholine	16632	Click to see C[N+](C)(C)CCOC(=O)C1=CC=CC=C1	208.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
Methyl Salicylate	4133	Click to see COC(=O)C1=CC=CC=C1O	152.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
o-Toluic Acid	8373	Click to see CC1=CC=CC=C1C(=O)O	136.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Phthalic acid	1017	Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O	166.13	unknown	https://doi.org/10.1111/TPJ.14311
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
SureCN668028	50937014	Click to see COC1=CC=CC(=C1CC#N)C(=O)O	191.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
Salicylic Acid	338	Click to see C1=CC=C(C(=C1)C(=O)O)O	138.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150418/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
4-Hydroxybenzoylcholine	151252	Click to see C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)O	224.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Benzenoids / Benzene and substituted derivatives / Benzoyl peroxides
Benzoyl Peroxide	7187	Click to see C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2	242.23	unknown	https://doi.org/10.1016/S1357-2725(01)00040-1
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	https://doi.org/10.1111/TPJ.14311
> Benzenoids / Benzene and substituted derivatives / Benzyl cyanides
Phenylacetonitrile	8794	Click to see C1=CC=C(C=C1)CC#N	117.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
Tyramine	5610	Click to see C1=CC(=CC=C1CCN)O	137.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
Phenylpyruvic acid	997	Click to see C1=CC=C(C=C1)CC(=O)C(=O)O	164.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1046/J.1432-1033.2002.03172.X
> Benzenoids / Phenol ethers / Anisoles
Allyltetramethoxybenzene	617233	Click to see COC1=C(C(=C(C(=C1)CC=C)OC)OC)OC	238.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Benzenoids / Phenols / Methoxyphenols
5-(3-Hydroxyprop-1-enyl)-3-methoxybenzene-1,2-diol	443704	Click to see COC1=CC(=CC(=C1O)O)C=CCO	196.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC341741/
5-Hydroxyconiferyl alcohol	5282095	Click to see COC1=CC(=CC(=C1O)O)C=CCO	196.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC341741/
Syringaldehyde	8655	Click to see COC1=CC(=CC(=C1O)OC)C=O	182.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Docosane	12405	Click to see CCCCCCCCCCCCCCCCCCCCCC	310.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Dodecane	8182	Click to see CCCCCCCCCCCC	170.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Eicosane	8222	Click to see CCCCCCCCCCCCCCCCCCCC	282.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Heneicosane	12403	Click to see CCCCCCCCCCCCCCCCCCCCC	296.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Heptacosane	11636	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC	380.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Octacosane	12408	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC	394.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Tricosane	12534	Click to see CCCCCCCCCCCCCCCCCCCCCCC	324.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(+)-alpha-Barbatene	14037349	Click to see CC1=CCC2(CC1C3(C2(CCC3)C)C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
> Lignans, neolignans and related compounds
(2E)-3-[4-({1,3-dihydroxy-1-[3-methoxy-4-(sulfooxy)phenyl]propan-2-yl}oxy)-3-methoxyphenyl]prop-2-enoic acid	121232653	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)OC(CO)C(C2=CC(=C(C=C2)OS(=O)(=O)O)OC)O	470.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Ggbce	6443755	Click to see COC1=C(C=CC(=C1)C=CCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O	376.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
> Lignans, neolignans and related compounds / Furanoid lignans
Syringaresinol	100067	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
(-)-Lariciresinol	23815394	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Lariciresinol	332427	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Hydroxyeicosatrienoic acids
14,15-dihydroxy-5Z,8Z,11Z-eicosatrienoic acid	5283147	Click to see CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O	338.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Leukotrienes
Leukotriene F4	5280938	Click to see CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N	568.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
[(2R)-1-[8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate	162997780	Click to see CCC=CCC=CCC=CCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC2C=CC(=O)C2CC=CCC	761.00	unknown	https://doi.org/10.3987/COM-06-S(O)33
[(2R)-1-[8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate	162997779	Click to see CCC=CCC=CCC=CCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC2C=CC(=O)C2CC=CCC	761.00	unknown	https://doi.org/10.3987/COM-10-12092
[(2R)-2-[6-[(1R,5S)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162940525	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC	775.00	unknown	https://doi.org/10.1021/NP0495938
[(2R)-2-[8-[(1R,5R)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1S,5R)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162911815	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[6-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	44583988	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC	775.00	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[6-[(1R,5R)-4-oxo-5-pent-2-enylcyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5R)-4-oxo-5-pent-2-enylcyclopent-2-en-1-yl]octanoate	162940526	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC	775.00	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[6-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate	163007550	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCC2C=CC(=O)C2CC=CCC	761.00	unknown	https://doi.org/10.3987/COM-06-S(O)33
[(2S)-2-[6-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162940524	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC	775.00	unknown	https://doi.org/10.3987/COM-06-S(O)33 https://doi.org/10.1021/NP0495938 https://doi.org/10.1016/S0040-4039(03)01148-1
[(2S)-2-[6-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	163189013	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCC4C=CC(=O)C4CC=CCC	937.10	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[6-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	163044132	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCC4C=CC(=O)C4CC=CCC	937.10	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[6-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	163194994	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC	775.00	unknown	https://doi.org/10.3987/COM-10-12092
[(2S)-2-[6-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	163186618	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCC4C=CC(=O)C4CC=CCC	937.10	unknown	https://doi.org/10.3987/COM-10-12092
[(2S)-2-[8-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	44583989	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[8-[(1R,5R)-4-oxo-5-pent-2-enylcyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5R)-4-oxo-5-pent-2-enylcyclopent-2-en-1-yl]octanoate	162911816	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162911817	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.3987/COM-06-S(O)33 https://doi.org/10.1021/NP0495938 https://doi.org/10.1016/S0040-4039(03)01148-1
[(2S)-2-[8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162955406	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.1021/NP0495938
[(2S)-2-[8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate	162996823	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC2C=CC(=O)C2CC=CCC	789.00	unknown	https://doi.org/10.3987/COM-10-12092
[(2S)-2-[8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162911818	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.3987/COM-10-12092
[(2S)-2-[8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162955405	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.3987/COM-10-12092
[1-[8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexadeca-7,10,13-trienoate	78394139	Click to see CCC=CCC=CCC=CCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC2C=CC(=O)C2CC=CCC	761.00	unknown	https://doi.org/10.3987/COM-06-S(O)33 https://doi.org/10.3987/COM-10-12092
[2-[6-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)hexanoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	163007549	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCC2C=CC(=O)C2CC=CCC	761.00	unknown	https://doi.org/10.3987/COM-06-S(O)33
[2-[6-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)hexanoyloxy]-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoate	163044131	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCC4C=CC(=O)C4CC=CCC	937.10	unknown	https://doi.org/10.1021/NP0495938 https://doi.org/10.3987/COM-10-12092
[2-[8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoate	162955408	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.1021/NP0495938
[2-[8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoate	73804367	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCC3C=CC(=O)C3CC=CCC	803.00	unknown	https://doi.org/10.3987/COM-06-S(O)33 https://doi.org/10.1021/NP0495938 https://doi.org/10.1016/S0040-4039(03)01148-1 https://doi.org/10.3987/COM-10-12092
[2-[8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	162996822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC2C=CC(=O)C2CC=CCC	789.00	unknown	https://doi.org/10.3987/COM-10-12092
[2-[8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoyloxy]-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoate	75051832	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.1021/NP0495938 https://doi.org/10.3987/COM-10-12092
[2-[8-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	73346854	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.1021/NP0495938
12-Oxo-phytodienoic acid	5280411	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O	292.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
12-Oxophytodienoic acid	10334541	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O	292.40	unknown	https://doi.org/10.1021/NP0495938
2,3-dinor-8-epi-prostaglandin F2alpha	9548881	Click to see CCCCCC(C=CC1C(CC(C1CC=CCC(=O)O)O)O)O	326.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid	188366	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O	292.40	unknown	https://doi.org/10.1021/NP0495938
Methyl 15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate	53393996	Click to see CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)OC)O	348.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Butyl palmitate	8090	Click to see CCCCCCCCCCCCCCCC(=O)OCCCC	312.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
9-hexadecenoic acid, methyl ester, (9Z)-	14258	Click to see CCCCCCC=CCCCCCCCC(=O)OC	268.40	unknown	https://doi.org/10.1046/J.1432-1033.2002.03172.X
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Hydroxy fatty acids
4-Hydroxybutanoic acid	10413	Click to see C(CC(=O)O)CO	104.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
beta-Hydroxyisovaleric acid	69362	Click to see CC(C)(CC(=O)O)O	118.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://doi.org/10.1111/TPJ.14311
Citramalic acid	1081	Click to see CC(CC(=O)O)(C(=O)O)O	148.11	unknown	https://doi.org/10.1111/TPJ.14311
D-Citramalic acid	439766	Click to see CC(CC(=O)O)(C(=O)O)O	148.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Meglutol	1662	Click to see CC(CC(=O)O)(CC(=O)O)O	162.14	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(s)-10,16-Dihydroxyhexadecanoic acid	10989850	Click to see C(CCCCC(=O)O)CCCC(CCCCCCO)O	288.42	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
(Z)-9,12,13-trihydroxyoctadec-10-enoic acid	139031827	Click to see CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O	330.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
15-Oxo-ETE	5280701	Click to see CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O	318.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
16-Hydroxyhexadecanoic acid	10466	Click to see C(CCCCCCCC(=O)O)CCCCCCCO	272.42	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
18-Hydroxy-9-octadecenoic acid	3014191	Click to see C(CCCCO)CCCC=CCCCCCCCC(=O)O	298.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
18-Hydroxyoctadecanoic acid	5282915	Click to see C(CCCCCCCCC(=O)O)CCCCCCCCO	300.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
18-Hydroxyoleic acid	5312773	Click to see C(CCCCO)CCCC=CCCCCCCCC(=O)O	298.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
20-Hydroxyicosanoic acid	5282919	Click to see C(CCCCCCCCCC(=O)O)CCCCCCCCCO	328.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
6,9-Octadecadienedioic acid, (6Z,9Z)-	25156710	Click to see C(CCCC=CCC=CCCCCC(=O)O)CCCC(=O)O	310.40	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011 https://doi.org/10.1111/TPJ.14311
Eicosa-11,14-dienoic acid	3208	Click to see CCCCCC=CCC=CCCCCCCCCCC(=O)O	308.50	unknown	https://doi.org/10.1111/TPJ.14311
Hexadecanedioic acid	10459	Click to see C(CCCCCCCC(=O)O)CCCCCCC(=O)O	286.41	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Octadec-9-enedioic acid	9543675	Click to see C(CCCC=CCCCCCCCC(=O)O)CCCC(=O)O	312.40	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1111/TPJ.14311
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
trans-13-Octadecenoic acid	6161490	Click to see CCCCC=CCCCCCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1111/TPJ.14311
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
2,4-Dimethylpimelic acid	543862	Click to see CC(CCC(=O)O)CC(C)C(=O)O	188.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
3,4-Methylenesebacic acid	124202122	Click to see C=C(CCCCCC(=O)O)C(=C)CC(=O)O	226.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
9-(Methylsulfinyl)nonanoic acid	121232646	Click to see CS(=O)CCCCCCCCC(=O)O	220.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Adipic Acid	196	Click to see C(CCC(=O)O)CC(=O)O	146.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1111/TPJ.14311
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	https://doi.org/10.1111/TPJ.14311
Caproic Acid	8892	Click to see CCCCCC(=O)O	116.16	unknown	https://doi.org/10.1111/TPJ.14311
Colnelenic acid	6441679	Click to see CCC=CCC=CC=COC=CCCCCCCC(=O)O	292.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	https://doi.org/10.1111/TPJ.14311
Suberic acid	10457	Click to see C(CCCC(=O)O)CCC(=O)O	174.19	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Thia fatty acids
(2S)-2-hydroxy-2-(2-methylsulfanylethyl)butanedioic acid	162822667	Click to see CSCCC(CC(=O)O)(C(=O)O)O	208.23	unknown	https://doi.org/10.1007/S00425-003-1184-3
4-(Methylsulfanyl)-2-oxobutanoic acid	473	Click to see CSCCC(=O)C(=O)O	148.18	unknown	https://doi.org/10.1007/S00425-003-1184-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
5-Methylthio-2-oxopentanoic acid	22266652	Click to see CSCCCC(=O)C(=O)O	162.21	unknown	https://doi.org/10.1007/S00425-003-1184-3
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
(S)-2-Hydroxylignoceric acid	18667409	Click to see CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O	384.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
2-Hydroxytetracosanoic acid	102430	Click to see CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O	384.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
22-Hydroxydocosanoic acid	5282922	Click to see C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO	356.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
24-Hydroxytetracosanoic acid	5312780	Click to see C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCO	384.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
25-Hydroxypentacosanoic acid	14325176	Click to see C(CCCCCCCCCCCCO)CCCCCCCCCCCC(=O)O	398.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
26-Hydroxyhexacosanoic acid	5312785	Click to see C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCO	412.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
Dotriacontanoic acid	19255	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	480.80	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
Tetracosanoic acid	11197	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	368.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Tricosanoic acid, 23-hydroxy-	11760442	Click to see C(CCCCCCCCCCCO)CCCCCCCCCCC(=O)O	370.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[[(E)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]amino]purin-9-yl]oxane-3,4,5-triol	163052638	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)COC4C(C(C(C(O4)CO)O)O)O	543.50	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[6-[[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol	163067476	Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)COC4C(C(C(C(O4)CO)O)O)O	545.50	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
2-(hydroxymethyl)-6-[2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]oxane-3,4,5-triol	3253682	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)COC3C(C(C(C(O3)CO)O)O)O	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
Maltitol	493591	Click to see C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O	344.31	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
O-beta-D-glucosyl-trans-zeatin	5461146	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)COC3C(C(C(C(O3)CO)O)O)O	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl thioesters / Acyl CoAs
3-[2-[3-[[(2S)-4-[[[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoic acid	124930088	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	853.60	unknown	https://doi.org/10.1046/J.1365-313X.2001.01073.X
S-[2-[3-[[(2R)-4-[[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate	162841662	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)O)O	959.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
S-[2-[3-[[(2R)-4-[[[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enethioate	163067956	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C=C4)O)O)O	929.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate	194090	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)O)O	959.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2004.12.016 https://doi.org/10.1016/J.PHYTOCHEM.2005.06.022
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl thioesters / Enoyl CoAs / 2-enoyl CoAs
5-Hydroxyferuloyl-CoA	44229079	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)O)O	959.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/ https://doi.org/10.1016/J.PHYTOCHEM.2004.12.016 https://doi.org/10.1016/J.PHYTOCHEM.2005.06.022
Caffeoyl-coa	11966126	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C=C4)O)O)O	929.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
S-[2-[3-[[(2R)-4-[[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate	154496557	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C=C4)O)OC)O	943.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
S-[2-[3-[[(2R)-4-[[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate	163068045	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O	973.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
Sinapoyl-CoA	11966120	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)O	973.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
trans-Feruloyl-CoA	11966129	Click to see CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC(=C(C=C4)O)OC)O	943.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Decanol	8174	Click to see CCCCCCCCCCO	158.28	unknown	https://doi.org/10.1111/TPJ.14311
2-Ethylhexan-1-ol	7720	Click to see CCCCC(CC)CO	130.23	unknown	https://doi.org/10.1111/TPJ.14311
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(6Z,9Z)-octadeca-6,9-diene-1,18-diol	88608602	Click to see C(CCCCO)CCCC=CCC=CCCCCCO	282.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
(7S)-hexadecane-1,7,16-triol	163105830	Click to see C(CCCCC(CCCCCCO)O)CCCCO	274.44	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
(9Z)-octadec-9-ene-1,18-diol	87212466	Click to see C(CCCCO)CCCC=CCCCCCCCCO	284.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
(Z,9S)-octadec-12-ene-1,9,18-triol	163104249	Click to see C(CCCCO)CCCC(CCC=CCCCCCO)O	300.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
1-Eicosanol	12404	Click to see CCCCCCCCCCCCCCCCCCCCO	298.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
1,18-Octadecanediol	520529	Click to see C(CCCCCCCCCO)CCCCCCCCO	286.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
Cetyl Alcohol	2682	Click to see CCCCCCCCCCCCCCCCO	242.44	unknown	https://doi.org/10.1111/TPJ.14311
Stearyl Alcohol	8221	Click to see CCCCCCCCCCCCCCCCCCO	270.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(10e,15z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid	44559173	Click to see CCC=CCC(C(C=CC(CCCCCCCC(=O)O)O)O)O	328.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
(10E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid	164511912	Click to see CCC=CCC(C(C=CC(CCCCCCCC(=O)O)O)O)O	328.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
18-Hydroxylinoleic acid	87314906	Click to see C(CCCC=CCC=CCCCCCO)CCCC(=O)O	296.40	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
gamma-Linolenic acid	5280933	Click to see CCCCCC=CCC=CCC=CCCCCC(=O)O	278.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Methyl linolenate	5319706	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OC	292.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone	557758	Click to see CCC=CCC1C(CCC1=O)CC(=O)O	210.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2634376/
Jasmonic acid	5281166	Click to see CCC=CCC1C(CCC1=O)CC(=O)O	210.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2634376/
Methyl jasmonate	5281929	Click to see CCC=CCC1C(CCC1=O)CC(=O)OC	224.30	unknown	https://doi.org/10.1007/S00425-002-0888-0
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols
2-O-(beta-D-glucosyl)glycerol	443265	Click to see C(C1C(C(C(C(O1)OC(CO)CO)O)O)O)O	254.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / 3-O-beta-D-digalactosyl-sn-glycerols
[(2S)-2-[8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate	162955407	Click to see CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC4C=CC(=O)C4CC=CCC	965.20	unknown	https://doi.org/10.1021/NP0495938
1-18:3-2-18:3-Digalactosyldiacylglycerol	57400365	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC	937.20	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols
(2S)-1-(octadecanoyloxy)-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate	53480668	Click to see CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	949.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
[2-Hexadeca-7,10,13-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	25203657	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCC=CCC=CCC=CCC	747.00	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
[2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	73805565	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC	775.10	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
[2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	25200977	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC	937.20	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
1-(9Z,12Z,15Z)-octadecatrienoyl-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol	90659307	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCC=CCC=CCC=CCC	747.00	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols / 1,2-diacyl-3-O-beta-D-galactosyl-sn-glycerols
1,2-Di-O-alpha-linolenoyl-3-O-beta-galactopyranosyl-sn-glycerol	21582567	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC	775.10	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphates
beta-Glycerophosphoric acid	2526	Click to see C(C(CO)OP(=O)(O)O)O	172.07	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Glycerophosphoric acid	754	Click to see C(C(COP(=O)(O)O)O)O	172.07	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
sn-Glycerol 3-phosphate	439162	Click to see C(C(COP(=O)(O)O)O)O	172.07	unknown	https://doi.org/10.1016/S0014-5793(03)00033-4
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphocholines
2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium	439285	Click to see C[N+](C)(C)CCOP(=O)(O)OCC(CO)O	258.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphocholines / Lysophosphatidylcholines / 1-acyl-sn-glycero-3-phosphocholines
1-Azelaoyl-sn-glycero-3-phosphocholine	121232657	Click to see C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCC(=O)O)O	427.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphocholines / Lysophosphatidylcholines / 2-acyl-sn-glycero-3-phosphocholines
2-Azelaoyl-sn-glycero-3-phosphocholine	121232640	Click to see C[N+](C)(C)CCOP(=O)([O-])OCC(CO)OC(=O)CCCCCCCC(=O)O	427.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
[(E)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate	162883301	Click to see CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C	450.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160113/
19-Hydroxygrindelic acid	10947690	Click to see CC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)CO	336.50	unknown	https://doi.org/10.1034/J.1399-3054.2000.108001019.X
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
Phytol	5280435	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
(1R,2R,5R,8R,9S,10S,11S,16S,17R)-16,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid	101603109	Click to see CC12C3C(C45CC(CCC4C3(CC(C1O)O)COC2=O)C(=C)C5)C(=O)O	362.40	unknown	https://doi.org/10.1007/BF02341024
(1S,2R,5S,8S,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid	159696818	Click to see CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O	330.40	unknown	https://doi.org/10.1007/BF02341024
4aalpha,4bbeta-Gibbane-1alpha,10beta-dicarboxylic acid, 2beta,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone	622971	Click to see CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O	332.40	unknown	https://doi.org/10.1093/PCP/PCT160
Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-	443457	Click to see CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O	332.40	unknown	https://doi.org/10.1093/PCP/PCT160
Gibberellin A1	5280379	Click to see CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O	348.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A20	5280481	Click to see CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O	332.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A34	5281987	Click to see CC12C3C(C45CC(CCC4C3(CC(C1O)O)OC2=O)C(=C)C5)C(=O)O	348.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A37	14605568	Click to see CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)COC2=O)O	346.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A4	92109	Click to see CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O	332.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A44	5460372	Click to see CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O	346.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A51	5281985	Click to see CC12CC(CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O	332.40	unknown	https://doi.org/10.1007/BF02341024
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 20-carboxylic acids
Gibberellin A13	10883375	Click to see CC1(C(CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)O)C(=O)O	378.40	unknown	https://doi.org/10.1007/BF02341024
gibberellin A17	5460657	Click to see CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O	378.40	unknown	https://doi.org/10.1007/BF02341024
gibberellin A25	14464358	Click to see CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)C(=O)O	362.40	unknown	https://doi.org/10.1007/BF02341024
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 6-carboxylic acids
Gibberellin A12	443450	Click to see CC12CCCC(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)(C)C(=O)O	332.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A19	5460209	Click to see CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O	362.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A24	443454	Click to see CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C=O)C(=O)O	346.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A36	443455	Click to see CC1(C(CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C=O)O)C(=O)O	362.40	unknown	https://doi.org/10.1007/BF02341024
Gibberellin A53	440914	Click to see CC12CCCC(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)(C)C(=O)O	348.40	unknown	https://doi.org/10.1007/BF02341024
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Isocopalane and spongiane diterpenoids
phytocassane D	11278519	Click to see CC1C2CCC3C(C(C(=O)CC3(C2C(=O)C=C1C=C)C)O)(C)C	316.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
(1R,2S,3S,5S,7R,8S,9S,10S,11R,12R)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10-tetrol	102298137	Click to see CC1(CCCC23C1C(C(C45C2C(CC(C4)C(=C)C5O)O)(OC3)O)O)CO	366.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
(1R,4S,5S,9R,10S,12S,13R,15R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-12,15-diol	90670216	Click to see CC1(CCCC2(C1CCC34C2CC(C(C3)C(=C)C4O)O)C)CO	320.50	unknown	https://doi.org/10.2307/3871415
ent-Kaur-16-en-19-ol	443465	Click to see CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO	288.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC32127/
Heptyl tributylsilyl ether	6431356	Click to see CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO	288.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC32127/
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC520767/ https://doi.org/10.1111/J.1365-313X.2005.02417.X
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(1S,5S,6R)-4-hydroxy-6-(2-hydroxypropan-2-yl)-5-methyl-1-(3-methylbut-2-enyl)-3-(2-methylpropanoyl)bicyclo[3.2.1]oct-3-ene-2,8-dione	135903343	Click to see CC(C)C(=O)C1=C(C2(C(CC(C1=O)(C2=O)CC=C(C)C)C(C)(C)O)C)O	362.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2593654/
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
Phytonadione	5284607	Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C	450.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-beta-Sesquiphellandrene	12315492	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
(3S,6E,8R)-3,7,11-trimethyldodeca-1,6,10-triene-3,8-diol	162938416	Click to see CC(=CCC(C(=CCCC(C)(C=C)O)C)O)C	238.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC514118/
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene	5321277	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
Thujopsen	97829	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
Thujopsene	442402	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Chamigranes
(-)-beta-Chamigrene	442353	Click to see CC1=CCC2(CC1)C(=C)CCCC2(C)C	204.35	unknown	https://doi.org/10.1111/J.1365-313X.2005.02417.X
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
Loganin	87691	Click to see CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O	390.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides
(3aR,5R,8aR,9aS)-6-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione	163003102	Click to see CC1CC2C(CC3(C1=C(C(=O)C3)O)C)C(=C)C(=O)O2	262.30	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
[(3aR,4R,6Z,10Z,11aS)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (E)-2-methylbut-2-enoate	162953859	Click to see CC=C(C)C(=O)OCC1=CCCC(=CC2C(C(C1)OC(=O)C)C(=C)C(=O)O2)CO	404.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	25245095	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.CHROMA.2006.04.033
Antheraxanthin	5281223	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C	584.90	unknown	https://doi.org/10.1034/J.1399-3054.2000.108001019.X
Lutein	5281243	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Violaxanthin	448438	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C	600.90	unknown	https://doi.org/10.1016/J.CHROMA.2006.04.033
Zeaxanthin	5280899	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.CHROMA.2006.04.033
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(-)-Butyrospermol	12302182	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
(3R,3aR,5aR,7S,9aR,9bR)-3-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol	163195252	Click to see CC(=CCCC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)C)C	444.70	unknown	https://doi.org/10.1021/OL060973P
(3R,3aR,5aR,7S,9aR,9bR)-3-[(E,2S)-8-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol	162977354	Click to see CC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)CCC4C(O4)(C)C	460.70	unknown	https://doi.org/10.1021/OL060973P
(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol	12305110	Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
(3S,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	101175672	Click to see CC(=CCC=C(C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
3-(2-Hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol	74413920	Click to see CC(=CCCC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)C)C	444.70	unknown	https://doi.org/10.1021/OL060973P
3-[8-(3,3-Dimethyloxiran-2-yl)-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol	162977353	Click to see CC(=CCCC(C)(C1CCC2C1(CCC3C2(CCC(C3(C)C)O)C)C)O)CCC4C(O4)(C)C	460.70	unknown	https://doi.org/10.1021/OL060973P
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol	12312989	Click to see CC1(CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one	612782	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C	424.70	unknown	https://doi.org/10.1021/OL800389Q
4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol	610148	Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	76006090	Click to see CC(=CCC=C(C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
alpha-Amyrin	73170	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Bauerenol	111220	Click to see CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Bauerenol	287684	Click to see CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Beta-Amyrin	73145	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	https://doi.org/10.1021/OL800389Q https://doi.org/10.1016/S0040-4039(00)01347-2
beta-Amyrone	12306160	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C	424.70	unknown	https://doi.org/10.1021/OL800389Q
Butyrospermol	12302181	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Lup-20(29)-en-3-ol, (3beta)-	521518	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2 https://doi.org/10.1021/OL800389Q
Lup-20(29)-en-3-one	323075	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C	424.70	unknown	https://doi.org/10.1021/OL800389Q
Lupenone	92158	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C	424.70	unknown	https://doi.org/10.1021/OL800389Q
Lupeol	259846	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	https://doi.org/10.1021/OL800389Q https://doi.org/10.1016/S0040-4039(00)01347-2
Multiflorenol	12312990	Click to see CC1(CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Olean-12-en-3beta-ol	225689	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	https://doi.org/10.1021/OL800389Q https://doi.org/10.1016/S0040-4039(00)01347-2
Pseudotaraxasterol	604983	Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Taraxasterol	115250	Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Tirucalla-7,24-dien-3beta-ol	12302184	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
Urs-12-en-3beta-ol	225688	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	https://doi.org/10.1016/S0040-4039(00)01347-2
> Lipids and lipid-like molecules / Steroids and steroid derivatives
(3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one	162899793	Click to see CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4=CCC5)C)C)C)C	382.60	unknown	https://doi.org/10.1021/OL800389Q
20,29,30-Trinorlupa-18-ene-3beta-ol	90976117	Click to see CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4=CCC5)C)C)C)C	384.60	unknown	https://doi.org/10.1021/OL800389Q
3a,5a,5b,8,8,11a-Hexamethyl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-ol	163078897	Click to see CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4=CCC5)C)C)C)C	384.60	unknown	https://doi.org/10.1021/OL800389Q
3a,5a,5b,8,8,11a-hexamethyl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one	162899792	Click to see CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4=CCC5)C)C)C)C	382.60	unknown	https://doi.org/10.1021/OL800389Q
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Dihydroxy bile acids, alcohols and derivatives
(5S,8R,9S,10S,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	23724592	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O)O	432.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1693957/
17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	73229503	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O)O	432.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1693957/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Monohydroxy bile acids, alcohols and derivatives
17-(3-Hydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	74089750	Click to see CC(C)C(C)CC(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O	416.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1693957/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Tetrahydroxy bile acids, alcohols and derivatives
(2R,3S,5S,8S,9S,10R,13S,14S,17S)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	162934955	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	464.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
(2R,3S,5S,8S,9S,10S,13S,14S,17S)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol	162955328	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C)O)O	450.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
17-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol	13870431	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C)O)O	450.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
24-epi-Castasterone	13039027	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	464.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X https://doi.org/10.1016/S0031-9422(97)00177-5
28-Norcastasterone	13982110	Click to see CC(C)CC(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	450.70	unknown	https://doi.org/10.1016/S0031-9422(00)00261-2
6-Deoxocastasterone	13870433	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C)O)O	450.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
Castasterone	133534	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	464.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X https://doi.org/10.1016/S0031-9422(00)00261-2 https://doi.org/10.1016/S0031-9422(97)00177-5
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Trihydroxy bile acids, alcohols and derivatives
(2R,3R,4R,5S)-2-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol	101344016	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1271/BBB.80192
(2S,3R,4R,5S)-2-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol	163012105	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
(2S,3R,4R,5S)-2-[(3S,5S,8R,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol	163012104	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
(3R,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	162934049	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1016/S0031-9422(01)00387-9
(3R,5S,8S,9S,10R,13S,14R,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	163185779	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	13475121	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1016/S0031-9422(01)00387-9
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2R,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	162934046	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB.80192
17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	13475117	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X https://doi.org/10.1271/BBB.80192
2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol	73229504	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1693957/ https://doi.org/10.1271/BBB.80192
6-Deoxoteasterone	11144580	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
6-Deoxotyphasterol	16061346	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol	304	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://doi.org/10.1016/0031-9422(93)85095-9
Coprosterol	221122	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	162862739	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C	400.70	unknown	https://doi.org/10.1046/J.1365-313X.1998.00158.X
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	134766514	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
(5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	162951597	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C	400.70	unknown	https://doi.org/10.1046/J.1365-313X.1998.00158.X
22,23-Dihydrobrassicasterol	5283637	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1021/OL800389Q
5-Cholestene-3-ol, 24-methyl-	312822	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1021/OL800389Q https://doi.org/10.1016/0031-9422(93)85095-9
Brassicasterol	5281327	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
Campestanol	119394	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	402.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
Campesterol	173183	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1021/OL800389Q https://doi.org/10.1074/JBC.M314195200 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
Estra-1,3,5(10)-triene-3,17-diol	9811784	Click to see CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O	272.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Estriol	5756	Click to see CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O	288.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Nandrolone	9904	Click to see CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34	274.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Brassinolides and derivatives
(1S,2R,4R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one	13039090	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://doi.org/10.1135/CCCC20011729
(1S,2R,4R,5S,7S,11R,12R,15S,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one	154496275	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://doi.org/10.1016/S0031-9422(98)00065-X
(1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2R,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one	162961959	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CCC(C4)O)C)C)O)O	464.70	unknown	https://doi.org/10.1271/BBB.80192
(1S,2R,5S,7S,11S,12S,15R,16S)-15-[(2R,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one	162961960	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CCC(C4)O)C)C)O)O	464.70	unknown	https://doi.org/10.1271/BBB.80192
(2R,4R,5S,7S,12S,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one	102515299	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://doi.org/10.1016/S0031-9422(97)00177-5
2-Deoxybrassinolide	14153905	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CCC(C4)O)C)C)O)O	464.70	unknown	https://doi.org/10.1271/BBB.80192
24-epi-Brassinolide	443055	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://doi.org/10.1016/S0031-9422(97)00177-5
24-Epibrassinolide	3239	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://doi.org/10.1016/S0031-9422(97)00177-5 https://doi.org/10.1016/S0031-9422(98)00065-X https://doi.org/10.1135/CCCC20011729
Brassinolide	115196	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	480.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC59135/ https://doi.org/10.1016/S0031-9422(98)00065-X
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Withanolides and derivatives
Taccalonolide T	56658581	Click to see CC1C=C2C(C3C1C4(C(CC5C(C4C3OC(=O)C)C(C(=O)C6(C5(C(C7C(C6)O7)OC(=O)CC(C)C)C)O)OC(=O)C)OC(=O)C)C)(C(C(=O)O2)(C)O)C	744.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-7,18-diol	15558969	Click to see CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)O	415.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(24E)-24-N-Propylidenecholesterol	5281328	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
(3S,5S,9S,10S,13R,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	91746710	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	416.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptan-1-ol	56924079	Click to see CC(C)C(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)CCO	416.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
(3S,8S,9S,10R,13R,14S,17R)-17-((R,Z)-5-isopropylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	134687892	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86747	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	122544	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	6743	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	416.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/0031-9422(93)85095-9
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Fucosterol	5281326	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
Stigmastanol	241572	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	416.70	unknown	https://doi.org/10.1016/0031-9422(93)85095-9
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1016/0031-9422(93)85095-9
> Nucleosides, nucleotides, and analogues / (5->5)-dinucleotides
1,4-Dihydronicotinamide adenine dinucleotide	439153	Click to see C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O	665.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Triphosphopyridine nucleotide	5885	Click to see C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N	743.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / 5-deoxyribonucleosides / 5-deoxy-5-thionucleosides
(2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate	163046094	Click to see C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O	398.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
(2S)-2-amino-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid	52224398	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N	384.41	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid	193	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N	384.41	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1016/J.BBRC.2009.02.106
S-adenosylmethionine	34756	Click to see C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O	399.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Nucleosides, nucleotides, and analogues / Flavin nucleotides
Flavin adenine dinucleotide	643975	Click to see CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O	785.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Flavin mononucleotide	643976	Click to see CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O	456.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Imidazole ribonucleosides and ribonucleotides / 1-ribosyl-imidazolecarboxamides
1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-	200	Click to see C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N	338.21	unknown	https://doi.org/10.1034/J.1399-3054.2003.00030.X
AICA ribonucleotide	65110	Click to see C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N	338.21	unknown	https://doi.org/10.1034/J.1399-3054.2003.00030.X
> Nucleosides, nucleotides, and analogues / Purine nucleosides
(2R,3R,4S,5S,6R)-2-(((E)-4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-2-methylbut-2-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol	11713250	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)COC4C(C(C(C(O4)CO)O)O)O	513.50	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol	6541376	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	335.36	unknown	https://doi.org/10.1074/JBC.M314195200
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol	5529	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	351.36	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
(2S,3R,4R,5S,6R)-2-[(2S)-4-[[9-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	163067558	Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O	501.50	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolane-3,4-diol	162966081	Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	353.37	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol	94936831	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	351.36	unknown	https://doi.org/10.1074/JBC.M314195200
(2S,3S,4R,5S,6S)-2-[(E)-4-[[9-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	163041536	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)COC4C(C(C(C(O4)CO)O)O)O	513.50	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	191	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
2-[4-[[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	73070439	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)COC4C(C(C(C(O4)CO)O)O)O	513.50	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
6-(gamma,gamma-Dimethylallylamino)purine riboside	266767	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	335.36	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6021	Click to see C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O	268.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
9-alpha-Ribofuranosyladenine	448378	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1034/J.1399-3054.2002.1160214.X
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://doi.org/10.1034/J.1399-3054.2002.1160214.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Dihydrozeatin riboside	10522005	Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	353.37	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
Riboprine	24405	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	335.36	unknown	https://doi.org/10.1074/JBC.M314195200 https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
Xanthosine	64959	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O	284.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Zeatin riboside	6440982	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	351.36	unknown	https://doi.org/10.1074/JBC.M314195200 https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Cyclic purine nucleotides / 2,3-cyclic purine nucleotides
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-3H-purin-6-one	92823	Click to see C1=NC2=C(N1C3C4C(C(O3)CO)OP(=O)(O4)O)NC(=NC2=O)N	345.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Purine nucleotide sugars
[[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] hydrogen phosphate	163090134	Click to see CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O	587.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC167028/
[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	162979523	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N	589.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC520969/
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate	10918995	Click to see CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O	589.30	unknown	via CMAUP database
[[(2S,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	163051142	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N	605.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC167028/
[[(2S,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate	162951224	Click to see CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O	589.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC167028/
[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	732	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N	605.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC167028/
[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	198	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N	589.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC520969/
GDP-fucose	135402013	Click to see CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O	589.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC167028/
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Purine ribonucleotides / Purine ribonucleoside 3,5-bisphosphates
[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate	162822833	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N	507.27	unknown	https://doi.org/10.1016/S1360-1385(02)02273-2
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Purine ribonucleotides / Purine ribonucleoside diphosphates
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate	8977	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N	443.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Adenosine-5'-diphosphate	6022	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N	427.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Purine ribonucleotides / Purine ribonucleoside monophosphates
[(2R,3R,4R,5S)-3,4-dihydroxy-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate	163010460	Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)CO	433.35	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	6804	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N	363.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate	66969974	Click to see CC(=C)CCC1(C(C(C(O1)COP(=O)(O)O)O)O)N2C=NC3=C(N=CN=C32)N	415.34	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
[(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate	154496787	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)C	415.34	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfo hydrogen phosphate	92209423	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N	427.29	unknown	https://doi.org/10.1093/PCP/PCF183
[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	224	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N	347.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Adenosine Phosphate	6083	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N	347.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Adenosine-5'-phosphosulfate	10238	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N	427.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1093/PCP/PCF183
cis-Zeatin riboside monophosphate	23724752	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)CO	431.34	unknown	https://doi.org/10.1074/JBC.M314195200
Xanthosine-5'-monophosphate	73323	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O	364.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877791/
Xanthosine-monophosphate	1190	Click to see C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O	364.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877791/
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
Cytidine	6175	Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O	243.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Uridine	6029	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	244.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1111/TPJ.14311
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides / Pyrimidine 2-deoxyribonucleosides
Thymidine	5789	Click to see CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O	242.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Cyclic pyrimidine nucleotides / 2,3-cyclic pyrimidine nucleotides
Cifostodine	68934	Click to see C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O	305.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine deoxyribonucleotides / Pyrimidine deoxyribonucleoside monophosphates / Pyrimidine 2-deoxyribonucleoside monophosphates
Deoxycytidine 5'-monophosphate	13945	Click to see C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	307.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Thymidine-5'-phosphate	9700	Click to see CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O	322.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine nucleotide sugars
(2S,3R,4S,5R,6R)-6-[[[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	163013617	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O	580.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC535855/
(2S,3S,4S,5R,6R)-6-[[[(2S,3S,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	163013618	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O	580.28	unknown	https://doi.org/10.1007/S00425-004-1441-0
[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate	163058445	Click to see CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O	548.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC419811/
[(2S,3S,4S,5S,6R)-6-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid	163129600	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CS(=O)(=O)O)O)O)O)O)O	630.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC122840/
[[(2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	162920685	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O	566.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC122840/
[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate	162935806	Click to see CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	548.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC419811/
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate	11169012	Click to see CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O	564.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC419811/
6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	390	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O	580.28	unknown	https://doi.org/10.1007/S00425-004-1441-0
Uridine 5'-(trihydrogen diphosphate), mono-alpha-d-glucopyranosyl ester	1166	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O	566.30	unknown	https://doi.org/10.1093/JXB/ERM209
Uridine-5'-diphosphate-glucose	8629	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O	566.30	unknown	https://doi.org/10.1093/JXB/ERM209
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine ribonucleotides / Pyrimidine ribonucleoside diphosphates
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	23616595	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O	584.32	unknown	https://doi.org/10.1093/JXB/ERM209
[(2S,3S,4R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate	163193627	Click to see C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O	488.32	unknown	https://doi.org/10.1016/J.FEBSLET.2004.04.015
[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate	162822830	Click to see CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O	601.29	unknown	https://doi.org/10.1007/S00425-002-0762-0
[[(2R,3S,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] hydrogen phosphate	163067983	Click to see CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)O	521.31	unknown	https://doi.org/10.1007/S00425-002-0762-0
4-CDP-2-C-methyl-D-erythritol	443199	Click to see CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)O	521.31	unknown	https://doi.org/10.1007/S00425-002-0762-0
4-CDP-2-C-methyl-D-erythritol 2-phosphate	443200	Click to see CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O	601.29	unknown	https://doi.org/10.1007/S00425-002-0762-0
Citicoline	13804	Click to see C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O	488.32	unknown	https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine ribonucleotides / Pyrimidine ribonucleoside diphosphates / CDP-ethanolamines
CDP-ethanolamine	123727	Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O	446.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine ribonucleotides / Pyrimidine ribonucleoside monophosphates
[(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate	40467906	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O	324.18	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
5'-Cytidylic acid	6131	Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O	323.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Uridine Monophosphate	6030	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O	324.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
(2S,4R)-2-(1H-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid	94840642	Click to see C1C(NC(S1)C2=CNC3=CC=CC=C32)C(=O)O	248.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158161/
(4R)-2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid	127102	Click to see C1C(N=C(S1)S)C(=O)O	163.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid	1059	Click to see C1C(C=NC1C(=O)O)O	129.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Dihydroorotic acid	648	Click to see C1C(NC(=O)NC1=O)C(=O)O	158.11	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
L-Dihydroorotic acid	439216	Click to see C1C(NC(=O)NC1=O)C(=O)O	158.11	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
L-Pyroglutamic acid	7405	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Timonacic	9934	Click to see C1C(NCS1)C(=O)O	133.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158161/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-azaniumylpropanoate	7311724	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
Alanine	5950	Click to see CC(C(=O)O)N	89.09	unknown	https://doi.org/10.1111/J.1745-7270.2008.00383.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
DL-Alanine	602	Click to see CC(C(=O)O)N	89.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/J.1745-7270.2008.00383.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid amides
3-Aminopiperidin-2-one	5200225	Click to see C1CC(C(=O)NC1)N	114.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
18-Ethyl-9,10-dihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15,20-tetrone	163190828	Click to see CCC1C2=C3C(=C4C(=CC(=O)C5=C(C4=O)OC6C5(C(C(C(O6)C)OC)O)O)C3=O)C=C(N2CC(=O)O1)C	511.50	unknown	https://doi.org/10.1111/J.1365-313X.2004.02258.X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
(2R)-2-amino-8-methylsulfanyloctanoic acid	44237249	Click to see CSCCCCCCC(C(=O)O)N	205.32	unknown	https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-amino-10-(methylsulfanyl)decanoic acid	123131536	Click to see CSCCCCCCCCC(C(=O)O)N	233.37	unknown	https://doi.org/10.1007/S00425-003-1184-3
2-Amino-5-(methylsulfanyl)pentanoic acid	11298145	Click to see CSCCCC(C(=O)O)N	163.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
3-Acetyloxy-2-aminopropanoic acid	189	Click to see CC(=O)OCC(C(=O)O)N	147.13	unknown	https://doi.org/10.1046/J.1365-313X.2003.01658.X
Dehydroalanine	123991	Click to see C=C(C(=O)O)N	87.08	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
DL-Glutamine	738	Click to see C(CC(=O)N)C(C(=O)O)N	146.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
DL-Homocysteine	778	Click to see C(CS)C(C(=O)O)N	135.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
DL-Homoserine	779	Click to see C(CO)C(C(=O)O)N	119.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
DL-Norvaline	824	Click to see CCCC(C(=O)O)N	117.15	unknown	https://doi.org/10.1111/TPJ.14311
DL-Ornithine	389	Click to see C(CC(C(=O)O)N)CN	132.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Hexahomomethionine	25010766	Click to see CSCCCCCCCCC(C(=O)O)N	233.37	unknown	https://doi.org/10.1007/S00425-003-1184-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
hexahomomethionine S-oxide	121232643	Click to see CS(=O)CCCCCCCCC(C(=O)O)N	249.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Lysine, DL-	866	Click to see C(CCN)CC(C(=O)O)N	146.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Pentahomomethionine	25010767	Click to see CSCCCCCCCC(C(=O)O)N	219.35	unknown	https://doi.org/10.1007/S00425-003-1184-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
pentahomomethionine S-oxide	121232642	Click to see CS(=O)CCCCCCCC(C(=O)O)N	235.35	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Pipecolic acid	849	Click to see C1CCNC(C1)C(=O)O	129.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Tetrahomomethionine	25010768	Click to see CSCCCCCCC(C(=O)O)N	205.32	unknown	https://doi.org/10.1007/S00425-003-1184-3
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
(2R)-2-amino-9-methylsulfanylnonanoic acid	126970643	Click to see CSCCCCCCCC(C(=O)O)N	219.35	unknown	https://doi.org/10.1007/S00425-003-1184-3
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate	6992098	Click to see C(CC(C(=O)[O-])[NH3+])CNC(=O)N	175.19	unknown	via CMAUP database
3-Cyano-L-alanine	439742	Click to see C(C#N)C(C(=O)O)N	114.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Arginine	6322	Click to see C(CC(C(=O)O)N)CN=C(N)N	174.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Citrulline	9750	Click to see C(CC(C(=O)O)N)CNC(=O)N	175.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160588/
Glutamine	5961	Click to see C(CC(=O)N)C(C(=O)O)N	146.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
L-homoserine	12647	Click to see C(CO)C(C(=O)O)N	119.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311
L-Methionine sulfone	445282	Click to see CS(=O)(=O)CCC(C(=O)O)N	181.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
L-mimosine	440473	Click to see C1=CN(C=C(C1=O)O)CC(C(=O)O)N	198.18	unknown	https://doi.org/10.1111/TPJ.14311
L-Norleucine	21236	Click to see CCCCC(C(=O)O)N	131.17	unknown	https://doi.org/10.1111/TPJ.14311
Lysine	5962	Click to see C(CCN)CC(C(=O)O)N	146.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311
O-acetyl-L-serine	99478	Click to see CC(=O)OCC(C(=O)O)N	147.13	unknown	https://doi.org/10.1046/J.1365-313X.2003.01658.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Threonine	6288	Click to see CC(C(C(=O)O)N)O	119.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Arginine and derivatives
DL-Arginine	232	Click to see C(CC(C(=O)O)N)CN=C(N)N	174.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
(2S)-4-amino-2-ammonio-4-oxobutanoate	6992089	Click to see C(C(C(=O)[O-])[NH3+])C(=O)N	132.12	unknown	via CMAUP database
Asparagine	6267	Click to see C(C(C(=O)O)N)C(=O)N	132.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020 https://doi.org/10.1111/TPJ.14311
D-Asparagine	439600	Click to see C(C(C(=O)O)N)C(=O)N	132.12	unknown	https://doi.org/10.1007/S00726-011-0973-4
DL-Asparagine	236	Click to see C(C(C(=O)O)N)C(=O)N	132.12	unknown	https://doi.org/10.1007/S00726-011-0973-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
(2R)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid	81639461	Click to see C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O	279.24	unknown	https://doi.org/10.1016/S0031-9422(00)90798-2
2-[3-(4-Hydroxyphenyl)prop-2-enoylamino]butanedioic acid	74346578	Click to see C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O	279.24	unknown	https://doi.org/10.1016/S0031-9422(00)90798-2
Aspartic Acid	5960	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/J.1742-4658.2008.06279.X
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1111/J.1742-4658.2008.06279.X
DL-Aspartic acid	424	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1111/TPJ.14311 https://doi.org/10.1111/J.1742-4658.2008.06279.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
N-carbamoyl-L-aspartate	93072	Click to see C(C(C(=O)O)NC(=O)N)C(=O)O	176.13	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
Ureidosuccinic acid	279	Click to see C(C(C(=O)O)NC(=O)N)C(=O)O	176.13	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
DL-Glutamic acid	611	Click to see C(CC(=O)O)C(C(=O)O)N	147.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Glutamic Acid	33032	Click to see C(CC(=O)O)C(C(=O)O)N	147.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
L-Saccharopine	160556	Click to see C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N	276.29	unknown	https://doi.org/10.1074/JBC.M400071200
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
DL-Histidine	773	Click to see C1=C(NC=N1)CC(C(=O)O)N	155.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Histidine	6274	Click to see C1=C(NC=N1)CC(C(=O)O)N	155.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
l-Isoleucine	6306	Click to see CCC(C)C(C(=O)O)N	131.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
DL-Leucine	857	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Leucine	6106	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://doi.org/10.1111/TPJ.14311
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
2-Azaniumyl-4-methylsulfanylbutanoate	5255805	Click to see CSCCC(C(=O)[O-])[NH3+]	149.21	unknown	via CMAUP database
Methionine	6137	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
N-Acetyl-L-methionine	448580	Click to see CC(=O)NC(CCSC)C(=O)O	191.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Racemethionine	876	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid	19423296	Click to see C1=CC=C(C=C1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O	349.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
6-Hydroxyindole-3-acetylphenylalanine	25246189	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CNC3=C2C=CC(=C3)O	338.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
DL-Phenylalanine	994	Click to see C1=CC=C(C=C1)CC(C(=O)O)N	165.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1111/TPJ.14311
Phenylalanine	6140	Click to see C1=CC=C(C=C1)CC(C(=O)O)N	165.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://doi.org/10.1074/JBC.275.19.14659
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S,4R)-4-hydroxypyrrolidinium-2-carboxylate	6971053	Click to see C1C(C[NH2+]C1C(=O)[O-])O	131.13	unknown	via CMAUP database
DL-Proline	614	Click to see C1CC(NC1)C(=O)O	115.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
DL-Pyroglutamic acid	499	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Hydroxyproline	5810	Click to see C1C(CNC1C(=O)O)O	131.13	unknown	https://doi.org/10.1074/JBC.M411109200
Proline	145742	Click to see C1CC(NC1)C(=O)O	115.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
DL-Serine	617	Click to see C(C(C(=O)O)N)O	105.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Serine	5951	Click to see C(C(C(=O)O)N)O	105.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
DL-Tyrosine	1153	Click to see C1=CC(=CC=C1CC(C(=O)O)N)O	181.19	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Tyrosine	6057	Click to see C1=CC(=CC=C1CC(C(=O)O)N)O	181.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
DL-Valine	1182	Click to see CC(C)C(C(=O)O)N	117.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Valine	6287	Click to see CC(C)C(C(=O)O)N	117.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Beta amino acids and derivatives
beta-Alanine	239	Click to see C(CN)C(=O)O	89.09	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
DL-Pantothenic acid	988	Click to see CC(C)(CO)C(C(=O)NCCC(=O)O)O	219.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Guanidinobutyric acid	500	Click to see C(CC(=O)O)CN=C(N)N	145.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Gamma-Aminobutyric Acid	119	Click to see C(CC(=O)O)CN	103.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
Cysteine	5862	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://doi.org/10.1093/MP/SST168
D-cysteine	92851	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://doi.org/10.1111/J.1742-4658.2005.04567.X
DL-Cysteine	594	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1093/MP/SST168
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives / L-cysteine-S-conjugates
Cystine	67678	Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N	240.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
L-cystathionine	439258	Click to see C(CSCC(C(=O)O)N)C(C(=O)O)N	222.26	unknown	https://doi.org/10.1111/J.1365-313X.2004.02329.X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-methylsulfanylmethylsulfinyl]ethyl]amino]-5-oxopentanoic acid	162914846	Click to see CSCS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N	326.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC157165/
4-Hydroxyphenylacetylglycine	440732	Click to see C1=CC(=CC=C1CC(=O)NCC(=O)O)O	209.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
N-Acetyl-DL-tryptophan	2002	Click to see CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O	246.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids / N-acyl-L-alpha-amino acids
Acetylcysteine	12035	Click to see CC(=O)NC(CS)C(=O)O	163.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
N-acetylornithine	439232	Click to see CC(=O)NC(CCCN)C(=O)O	174.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-carbamoyl-alpha amino acids and derivatives / N-carbamoyl-alpha amino acids
Allantoic acid	203	Click to see C(C(=O)O)(NC(=O)N)NC(=O)N	176.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC389928/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides
Glutathione	124886	Click to see C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N	307.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Glycyl-L-phenylalanine	92953	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN	222.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
l-Alanyl-l-glutamine	123935	Click to see CC(C(=O)NC(CCC(=O)N)C(=O)O)N	217.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
N-Glycyl-L-isoleucine	88079	Click to see CCC(C)C(C(=O)O)NC(=O)CN	188.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Dipeptides
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid	4078229	Click to see CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N	278.35	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
Ala-ile	7408079	Click to see CCC(C)C(C(=O)O)NC(=O)C(C)N	202.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Asp-His	9856673	Click to see C1=C(NC=N1)CC(C(=O)O)NC(=O)C(CC(=O)O)N	270.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
FL zwitterion	7010521	Click to see CC(C)CC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]	278.35	unknown	via CMAUP database
gammaGluCys(IAN)	70678683	Click to see C1=CC=C2C(=C1)C(=CN2)C(C#N)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N	404.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
Glu-glu	439500	Click to see C(CC(=O)O)C(C(=O)NC(CCC(=O)O)C(=O)O)N	276.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Glutamylalanine	6992506	Click to see CC(C(=O)O)NC(=O)C(CCC(=O)O)N	218.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
H-Trp-phe-OH	6426942	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N	351.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
His-Asp	7020094	Click to see C1=C(NC=N1)CC(C(=O)NC(CC(=O)O)C(=O)O)N	270.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
L-Alanyl-L-alanine	5484352	Click to see CC(C(=O)NC(C)C(=O)O)N	160.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
L-Methionyl-L-isoleucine	6451660	Click to see CCC(C)C(C(=O)O)NC(=O)C(CCSC)N	262.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Leu-phe	6992310	Click to see CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N	278.35	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Phe-Val	7359122	Click to see CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N	264.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Phenylalanylleucine	76808	Click to see CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N	278.35	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
Ser-phe	7009598	Click to see C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CO)N	252.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Serylmethionine	151087	Click to see CSCCC(C(=O)O)NC(=O)C(CO)N	236.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Tyr-Ile	7019110	Click to see CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N	294.35	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Val-ser	6992640	Click to see CC(C)C(C(=O)NC(CO)C(=O)O)N	204.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
gamma-Glutamylcysteinylglycine	745	Click to see C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N	307.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
gammaGluCys(4MeOI3M)Gly	70678641	Click to see COC1=CC=CC2=C1C(=CN2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	466.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
gammaGluCys(IAN)Glu	70678636	Click to see C1=CC=C2C(=C1)C(=CN2)C(C#N)SCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCC(C(=O)O)N	533.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-Butenedioic acid	723	Click to see C(=CC(=O)O)C(=O)O	116.07	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Disodium maleate	6364608	Click to see C(=CC(=O)[O-])C(=O)[O-].[Na+].[Na+]	160.04	unknown	via CMAUP database
Fumaric Acid	444972	Click to see C(=CC(=O)O)C(=O)O	116.07	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Glutaric acid	743	Click to see C(CC(=O)O)CC(=O)O	132.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Maleic Acid	444266	Click to see C(=CC(=O)O)C(=O)O	116.07	unknown	https://doi.org/10.1111/TPJ.14311
Methylmalonic acid	487	Click to see CC(C(=O)O)C(=O)O	118.09	unknown	https://doi.org/10.1111/TPJ.14311
Oxalic Acid	971	Click to see C(=O)(C(=O)O)O	90.03	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1111/TPJ.14311
Succinic Acid	1110	Click to see C(CC(=O)O)C(=O)O	118.09	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
cis-Aconitic acid	643757	Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O	174.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Citric Acid	311	Click to see C(C(=O)O)C(CC(=O)O)(C(=O)O)O	192.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
Isocitric acid	1198	Click to see C(C(C(C(=O)O)O)C(=O)O)C(=O)O	192.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
trans-Aconitic acid	444212	Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O	174.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.1111/TPJ.14311
> Organic acids and derivatives / Hydroxy acids and derivatives / Alpha hydroxy acids and derivatives
L-Lactic acid	107689	Click to see CC(C(=O)O)O	90.08	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Lactic Acid	612	Click to see CC(C(=O)O)O	90.08	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid	222656	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
3-Hydroxypropionic acid	68152	Click to see C(CO)C(=O)O	90.08	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
D-malate	92824	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://doi.org/10.1111/TPJ.14311
Malic Acid	525	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://doi.org/10.1007/S00425-012-1621-2 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
(2R)-2-hydroxy-2-(4-methylsulfanylbutyl)butanedioic acid	163009739	Click to see CSCCCCC(CC(=O)O)(C(=O)O)O	236.29	unknown	https://doi.org/10.1007/S00425-003-1184-3
(2R)-2-hydroxy-2-(6-methylsulfanylhexyl)butanedioic acid	163068052	Click to see CSCCCCCCC(CC(=O)O)(C(=O)O)O	264.34	unknown	https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-hydroxy-2-(3-methylsulfanylpropyl)butanedioic acid	162822804	Click to see CSCCCC(CC(=O)O)(C(=O)O)O	222.26	unknown	https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-hydroxy-2-(5-methylsulfanylpentyl)butanedioic acid	163067405	Click to see CSCCCCCC(CC(=O)O)(C(=O)O)O	250.31	unknown	https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-hydroxy-2-(7-methylsulfanylheptyl)butanedioic acid	162891762	Click to see CSCCCCCCCC(CC(=O)O)(C(=O)O)O	278.37	unknown	https://doi.org/10.1007/S00425-003-1184-3
3-Hydroxydecanoic acid	26612	Click to see CCCCCCCC(CC(=O)O)O	188.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
D-Galactonic acid	128869	Click to see C(C(C(C(C(C(=O)O)O)O)O)O)O	196.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic acids and derivatives / Hydroxy acids and derivatives / Short-chain hydroxy acids and derivatives
2-Hydroxyglutaric acid	43	Click to see C(CC(=O)O)C(C(=O)O)O	148.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
2,4-Dihydroxybutanoic acid	192742	Click to see C(CO)C(C(=O)O)O	120.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organic acids and derivatives / Keto acids and derivatives / Alpha-keto acids and derivatives
Pyruvic Acid	1060	Click to see CC(=O)C(=O)O	88.06	unknown	https://doi.org/10.1111/J.1742-4658.2005.04567.X
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
2-Oxoglutaric acid	51	Click to see C(CC(=O)O)C(=O)C(=O)O	146.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organic acids and derivatives / Keto acids and derivatives / Medium-chain keto acids and derivatives
2-Oxo-10-methylthiodecanoic acid	44237296	Click to see CSCCCCCCCCC(=O)C(=O)O	232.34	unknown	https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-6-methylthiohexanoic acid	22266653	Click to see CSCCCCC(=O)C(=O)O	176.24	unknown	https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-7-methylthioheptanoic acid	22266655	Click to see CSCCCCCC(=O)C(=O)O	190.26	unknown	https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-8-methylthiooctanoic acid	44237314	Click to see CSCCCCCCC(=O)C(=O)O	204.29	unknown	https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-9-methylthiononanoic acid	44237170	Click to see CSCCCCCCCC(=O)C(=O)O	218.32	unknown	https://doi.org/10.1007/S00425-003-1184-3
> Organic acids and derivatives / Organic phosphoric acids and derivatives / Phosphate esters / Alkyl phosphates / Monoalkyl phosphates
3-(Imidazol-4-yl)-2-oxopropyl phosphate	792	Click to see C1=C(NC=N1)CC(=O)COP(=O)(O)O	220.12	unknown	https://doi.org/10.1016/J.FEBSLET.2004.10.086
5-O-(1-carboxyvinyl)-3-phosphoshikimic acid	439463	Click to see C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O	324.18	unknown	https://doi.org/10.1046/J.1432-1033.2002.03172.X
Methyl dihydrogen phosphate	13130	Click to see COP(=O)(O)O	112.02	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Methyl-D-erythritol Phosphate	443198	Click to see CC(CO)(C(COP(=O)(O)O)O)O	216.13	unknown	https://doi.org/10.1007/S00425-002-0762-0
> Organic acids and derivatives / Organic phosphoric acids and derivatives / Phosphate esters / Phosphoethanolamines
2-Aminoethyl dihydrogen phosphate	1015	Click to see C(COP(=O)(O)O)N	141.06	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organic acids and derivatives / Peptidomimetics / Hybrid peptides
Ala-asp	99719	Click to see CC(C(=O)NC(CC(=O)O)C(=O)O)N	204.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Alkanolamines
2-Hydroxyethyl-dimethyl-[(oxo-lambda5-phosphanylidyne)methyl]azanium	67723810	Click to see C[N+](C)(CCO)C#P=O	148.12	unknown	https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,4-Diaminobutane	1045	Click to see C(CCN)CN	88.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
Spermidine	1102	Click to see C(CCNCCCN)CN	145.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1046/J.1365-313X.2001.01100.X
Spermine	1103	Click to see C(CCNCCCN)CNCCCN	202.34	unknown	https://doi.org/10.1046/J.1365-313X.2001.01100.X
> Organic nitrogen compounds / Organonitrogen compounds / Organic cyanides / Nitriles
4-Hydroxybutanenitrile	220705	Click to see C(CC#N)CO	85.10	unknown	https://doi.org/10.1105/TPC.13.12.2793
6-(Methylthio)hexanenitrile oxide	46173282	Click to see CSCCCCCC#[N+][O-]	159.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Stearonitrile	12532	Click to see CCCCCCCCCCCCCCCCCC#N	265.50	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Oximes / Aldoximes
8-(Methylsulfanyl)octanal oxime	74388157	Click to see CSCCCCCCCC=NO	189.32	unknown	https://doi.org/10.1046/J.1365-313X.2003.01679.X
8-Methylthiooctanaldoxime	25010745	Click to see CSCCCCCCCC=NO	189.32	unknown	https://doi.org/10.1046/J.1365-313X.2003.01679.X
9-(Methylsulfanyl)nonanal oxime	74388159	Click to see CSCCCCCCCCC=NO	203.35	unknown	https://doi.org/10.1046/J.1365-313X.2003.01679.X
9-Methylthiononanaldoxime	25010752	Click to see CSCCCCCCCCC=NO	203.35	unknown	https://doi.org/10.1046/J.1365-313X.2003.01679.X
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline	305	Click to see C[N+](C)(C)CCO	104.17	unknown	https://doi.org/10.1074/JBC.M302362200 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines / Phosphocholines
Phosphocholine	1014	Click to see C[N+](C)(C)CCOP(=O)(O)O	184.15	unknown	https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Organic oxygen compounds / Organic oxoanionic compounds / Organic pyrophosphates
2C-Methyl-D-erythritol 2,4-cyclodiphosphate	126747	Click to see CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO	278.09	unknown	https://doi.org/10.1007/S00425-002-0762-0
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Inositol phosphates
[(1S,2S,3R,4R,5R,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate	34099686	Click to see C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	420.10	unknown	https://doi.org/10.1111/J.1365-313X.2004.02225.X
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid	1064	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	https://doi.org/10.1021/AC991142I
Quinic acid	6508	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1021/AC991142I
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid	1094	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://doi.org/10.4014/JMB.1312.12076
Shikimic acid	8742	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
2,3-Butanediol	262	Click to see CC(C(C)O)O	90.12	unknown	https://doi.org/10.1111/TPJ.14311
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
Pantothenic Acid	6613	Click to see CC(C)(CO)C(C(=O)NCCC(=O)O)O	219.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Amino sugars / Acylaminosugars
N-ACETYL-beta-D-GLUCOSAMINE	24139	Click to see CC(=O)NC1C(C(C(OC1O)CO)O)O	221.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
N,N'-diacetylchitobiose	439544	Click to see CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O	424.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Disaccharides
(2R,3S,4S)-3,4-dihydroxy-2-[(2S,3S,4S,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid	162983718	Click to see CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O	322.26	unknown	https://doi.org/10.1016/S0031-9422(97)00532-3
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid	5281110	Click to see CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O	322.26	unknown	https://doi.org/10.1016/S0031-9422(97)00532-3
2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid	163192725	Click to see CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C1C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C(C(C(C=O)OC1C(C(C=C(O1)C(=O)O)O)O)O)O)O	966.80	unknown	https://doi.org/10.1016/S0031-9422(97)00532-3
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid	4479101	Click to see CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O	322.26	unknown	https://doi.org/10.1016/S0031-9422(97)00532-3
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Disaccharides / Disaccharide phosphates
Gal6P(a1-1a)Gal	162906202	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O	422.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC527163/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate	154497469	Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	359.40	unknown	https://doi.org/10.1105/TPC.13.12.2793
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate	154497281	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1105/TPC.13.12.2793
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate	123131517	Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	423.50	unknown	https://doi.org/10.1093/CHROMSCI/26.11.551
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate	154496244	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	409.40	unknown	https://doi.org/10.1074/JBC.275.19.14659
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate	160243631	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1016/S0031-9422(02)00549-6
[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-[(R)-methylsulfinyl]-N-sulfooxyhexanimidothioate	154497804	Click to see CS(=O)CCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	451.50	unknown	https://doi.org/10.1007/S00425-004-1295-5
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-3-phenyl-N-sulfooxypropanimidothioate	154495984	Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	423.50	unknown	https://doi.org/10.1016/S0031-9422(02)00549-6
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-hydroxy-N-sulfooxypentanimidothioate	44237252	Click to see C(CCO)CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	391.40	unknown	https://doi.org/10.1007/S00425-004-1295-5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-[(R)-methylsulfinyl]-N-sulfooxyoctanimidothioate	154497806	Click to see CS(=O)CCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	479.60	unknown	https://doi.org/10.1007/S00425-004-1295-5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate	656565	Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate	547456	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate	598860	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
1-S-[(1Z)-6-(methylsulfanyl)-N-(sulfooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose	5748612	Click to see CSCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	435.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
2-Propenyl glucosinolate	5486549	Click to see C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	359.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
3-Indolylmethyl glucosinolate	6602378	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1093/CHROMSCI/26.11.551 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
4-Methoxy-3-indolylmethyl glucosinolate	656563	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
4-Methoxyglucobrassicin	9576738	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
4-Methylsulfinylbutyl glucosinolate	9548634	Click to see CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	437.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
4-Methylthiobutyl glucosinolate	6537200	Click to see CSCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	421.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
7-Methylthioheptyl glucosinolate	46173876	Click to see CSCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	463.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
8-Methylsulfinyl-n-octyl glucosinolate	101613195	Click to see CS(=O)CCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	493.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
8-Methylthiooctyl glucosinolate	46173877	Click to see CSCCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	477.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)	9589398	Click to see CS(=O)CCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	451.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
But-3-enylglucosinolate	14390048	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1093/CHROMSCI/26.11.551
Glucobrassicanapin	5485207	Click to see C=CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	387.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Glucobrassicin	9601691	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1093/CHROMSCI/26.11.551
Glucoibarin	124079390	Click to see CS(=O)CCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	479.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Glucolesquerellin	46173875	Click to see CSCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	449.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Gluconapin	9548620	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1093/CHROMSCI/26.11.551
Indolylglucosinolate	6537198	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1007/S004250050576
Indolylmethyl glucosinolate	656506	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
Phenethyl glucosinolate potassium salt	9548618	Click to see C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	423.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[[(2R)-4-(7H-purin-6-ylamino)butan-2-yl]oxymethyl]oxane-3,4,5-triol	163104435	Click to see CC(CCNC1=NC=NC2=C1NC=N2)OCC3C(C(C(C(O3)CO)O)O)O	383.40	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
beta-D-Psicofuranose	12306006	Click to see C(C1C(C(C(O1)(CO)O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Glycosylamines
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-7-yl]oxane-3,4,5-triol	163053806	Click to see CC(=CCNC1=NC=NC2=C1N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO	381.38	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[6-(3-methylbut-2-enylamino)purin-9-yl]oxane-3,4,5-triol	163081212	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)C	365.38	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
2-(Hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-7-yl]oxane-3,4,5-triol	74413368	Click to see CC(=CCNC1=NC=NC2=C1N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
2-(Hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxane-3,4,5-triol	53399083	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
D-ribosylnicotinic acid	161234	Click to see C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)O	256.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Raphanatin	6450275	Click to see CC(=CCNC1=NC=NC2=C1N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
trans-Zeatin glucoside	9842892	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO	381.38	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
2-O-beta-D-Glucopyranosyl-D-glucopyranose	12304904	Click to see C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311
6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose	440658	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311
alpha-D-galactopyranosyl alpha-D-galactopyranoside	10925912	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
alpha-D-Glucopyranoside, alpha-D-glucopyranosyl	1143	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Benzyl beta-d-glucopyranoside	188977	Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O	270.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Cellobiose	294	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
D-(+)-Maltose	439186	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
D-Cellobiose	439178	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311
Gal(a1-4)a-Alt	154496967	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Glc(a1-6)a-L-All	162942189	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Hex-2-ulofuranosyl hexopyranoside	1115	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1093/MP/SSS001 https://doi.org/10.1016/J.PLANTSCI.2012.01.014
Lactobiose	440995	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311
Melibiose	872	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O	342.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Sucrose	5988	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311 https://doi.org/10.1016/J.PLANTSCI.2012.01.014 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1093/MP/SSS001 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Trehalose	7427	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O	342.30	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol	154497544	Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO	372.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid	49859721	Click to see C1=CC(=C(C=C1O)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O	316.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxane-3,4,5-triol	3496897	Click to see COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol	323959	Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO	372.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid	101524168	Click to see C1C(C(C(C(O1)OC2=CC=CC(=C2O)C(=O)O)O)O)O	286.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid	121232649	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)C(=CN2)C(=O)O	425.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
6-(D-glucosyloxy)indole-3-carboxylic acid	70678633	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)NC=C2C(=O)O	339.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
7-(beta-D-glucosyloxy)-2-oxindole-3-acetic acid	44159515	Click to see C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2CC(=O)O	369.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Coniferin	5280372	Click to see COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
Eleutheroside B	5316860	Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO	372.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Thioglycosides
[5-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]sulfamic acid	162869970	Click to see CS(=O)CCCCC(=NS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	421.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2593654/
6-(Methylthio)hexyldesulfoglucosinolate	134160266	Click to see CSCCCCCCC(=NO)SC1C(C(C(C(O1)CO)O)O)O	369.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
1,5-Anhydro-D-glucitol	64960	Click to see C1C(C(C(C(O1)CO)O)O)O	164.16	unknown	https://doi.org/10.1111/TPJ.14311
D-(-)-Fructose	5984	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020
D-Erythrose	94176	Click to see C(C(C(C=O)O)O)O	120.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
alpha-D-GALACTOSE	439357	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
beta-L-idopyranose	6323336	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
D-Galactose	6036	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Desulfoglucosinolates
5-(Methylsulfanyl)pentyl-desulfoglucosinolate	44237392	Click to see CSCCCCCC(=NO)SC1C(C(C(C(O1)CO)O)O)O	355.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC514118/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Gluconolactones
Gluconolactone	7027	Click to see C(C1C(C(C(C(=O)O1)O)O)O)O	178.14	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Hexose phosphates
beta-Galactose-6-phosphate	449526	Click to see C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O	260.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Fructose-6-phosphate	69507	Click to see C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O	260.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Monosaccharide phosphates
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid	121233516	Click to see C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O	276.14	unknown	https://doi.org/10.1046/J.1365-313X.2003.01889.X
3-deoxy-D-arabino-heptulosonate-7-phosphate	160647	Click to see C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O	288.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160795/
6-Phosphogluconic acid	91493	Click to see C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O	276.14	unknown	https://doi.org/10.1046/J.1365-313X.2003.01889.X
alpha-D-Galactose 1-phosphate	123912	Click to see C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O	260.14	unknown	https://doi.org/10.1046/J.1365-313X.2003.01889.X
alpha-D-glucose-1-phosphate	65533	Click to see C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O	260.14	unknown	https://doi.org/10.1046/J.1365-313X.2003.01889.X
Juvidex	6101690	Click to see C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O	260.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Monosaccharide phosphates / Glyceraldehyde-3-phosphates
3-Phosphoglyceraldehyde	729	Click to see C(C(C=O)O)OP(=O)(O)O	170.06	unknown	https://doi.org/10.1074/JBC.M314195200
Glyceraldehyde-3-phosphate	439168	Click to see C(C(C=O)O)OP(=O)(O)O	170.06	unknown	https://doi.org/10.1074/JBC.M314195200
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal	5311110	Click to see C(C(C(C(C=O)O)O)O)O	150.13	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.09.020
beta-D-Arabinopyranose	444173	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses / Pentose phosphates
[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate	92962115	Click to see C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	390.07	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate	446894	Click to see C1=CC=C(C(=C1)C(=O)O)NCC(=O)C(C(COP(=O)(O)O)O)O	349.23	unknown	https://doi.org/10.1046/J.1365-313X.2000.00883.X
1-deoxy-D-xylulose 5-phosphate	443201	Click to see CC(=O)C(C(COP(=O)(O)O)O)O	214.11	unknown	https://doi.org/10.1007/S00425-002-0762-0
2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]benzoic acid	163067780	Click to see C1=CC=C(C(=C1)C(=O)O)NC2C(C(C(O2)COP(=O)(O)O)O)O	349.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC111174/
a-D-Sorf2P6P	162979383	Click to see C(C1C(C(C(O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O	340.12	unknown	https://doi.org/10.1111/J.1365-313X.2003.01992.X
Cytidine 3'-monophosphate	66535	Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O	323.20	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
N-(5-phospho-beta-D-ribosyl)anthranilic acid	440289	Click to see C1=CC=C(C(=C1)C(=O)O)NC2C(C(C(O2)COP(=O)(O)O)O)O	349.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC111174/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,6S)-6-[(2R,3S,4R,6S)-4-hydroxy-6-[(2R,3R,4R,6S)-4-methoxy-6-[(2R,3S,4S,6R)-4-methoxy-2-methyl-6-[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	15939579	Click to see CC1C(C(CC(O1)C2CCC3(C4CCC5(C6C7COC6(OC5(C4CC=C3C2)O7)C)C)C)OC)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)OC1C(C(C(C(O1)CO)O)O)O)OC)O)OC	1055.20	unknown	https://doi.org/10.1034/J.1399-3054.2000.108001019.X
alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-	219993	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O	504.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3878221/
Melezitose	92817	Click to see C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O	504.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Raffinose	439242	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O	504.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3878221/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
(2R)-2,3-Dihydroxypropanoic acid	439194	Click to see C(C(C(=O)O)O)O	106.08	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
2-dehydro-D-gluconic acid	3035456	Click to see C(C(C(C(C(=O)C(=O)O)O)O)O)O	194.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
DL-Tartaric acid	875	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	https://doi.org/10.1111/TPJ.14311
Gluconic Acid	10690	Click to see C(C(C(C(C(C(=O)O)O)O)O)O)O	196.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Glyceric acid	752	Click to see C(C(C(=O)O)O)O	106.08	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
L-Tartaric acid	444305	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid	84740	Click to see C(=O)C(C(C(C(C(=O)O)O)O)O)O	194.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Galactaric acid	3037582	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	https://doi.org/10.1111/TPJ.14311
Glucaric acid	33037	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1111/TPJ.14311
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
D-Threitol	169019	Click to see C(C(C(CO)O)O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Erythritol	222285	Click to see C(C(C(CO)O)O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1111/TPJ.14311
Sorbitol	5780	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	https://doi.org/10.1111/TPJ.14311
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde	126	Click to see C1=CC(=CC=C1C=O)O	122.12	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
2-Methoxy-1-propanol	14846	Click to see CC(CO)OC	90.12	unknown	https://doi.org/10.1034/J.1399-3054.2000.108002188.X
> Organic oxygen compounds / Organooxygen compounds / Ethers / Diarylethers
(8E,22E)-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.1(3,7)]nonacosa-1(26),3(29),4,6,8,22,24,27-octaen-4-yl hydrogen sulfate	124202369	Click to see C1CCNC(=O)C=CC2=CC(=C(C=C2)OS(=O)(=O)O)OC3=CC=C(C=C3)C=CC(=O)NCCCNC1	515.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organoheterocyclic compounds / Azoles / Imidazoles
Allantoin	204	Click to see C1(C(=O)NC(=O)N1)NC(=O)N	158.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC389928/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
> Organoheterocyclic compounds / Azolidines / Imidazolidines / Hydantoins / Allantoins
Allantoin, (-)-	439713	Click to see C1(C(=O)NC(=O)N1)NC(=O)N	158.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC389928/
> Organoheterocyclic compounds / Benzimidazoles / 2-benzimidazolylcarbamic acid esters
Carbendazim	25429	Click to see COC(=O)NC1=NC2=CC=CC=C2N1	191.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
3,4-Dihydro-3-heptantrienyl-8-hydroxyl-6-hydroxymethyl-5-methylisocoumarin	139583431	Click to see CC=CC=CC=CC1CC2=C(C(=CC(=C2C(=O)O1)O)CO)C	300.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC111174/
> Organoheterocyclic compounds / Benzothiazoles
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate	5325824	Click to see COC(=O)C(=C1NC2=CC=CC=C2S1)C#N	232.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidinecarboxylic acids and derivatives / Pyrimidinecarboxylic acids
Orotic acid	967	Click to see C1=C(NC(=O)NC1=O)C(=O)O	156.10	unknown	https://doi.org/10.1016/J.PLAPHY.2005.01.003
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Dihydrouracil	649	Click to see C1CNC(=O)NC1=O	114.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Thiamines / Thiamine phosphates
Thiamine diphosphate	1132	Click to see CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O	425.32	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid	54670067	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	https://doi.org/10.1046/J.1365-3040.2001.00686.X
> Organoheterocyclic compounds / Furofurans / Isosorbides
Ascorbigen	3081416	Click to see C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O	305.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Organoheterocyclic compounds / Imidazopyrimidines
(4S,5S)-N-(3-methylbut-2-enyl)-1,4,5,7-tetrahydropurin-6-imine	162976881	Click to see CC(=CCN=C1C2C(N=CN2)N=CN1)C	205.26	unknown	https://doi.org/10.1074/JBC.M314195200
[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4R,5S)-6-(3-methylbut-2-enylimino)-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate	162903498	Click to see CC(=CCN=C1C2C(N=CN1)N(C=N2)C3C(C(C(O3)OP(=O)(O)O)O)O)C	403.33	unknown	https://doi.org/10.1074/JBC.M314195200
[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(4S,5R)-6-[(Z)-4-hydroxy-3-methylbut-2-enyl]imino-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate	163041558	Click to see CC(=CCN=C1C2C(N=CN1)N(C=N2)C3C(C(C(O3)OP(=O)(O)O)O)O)CO	419.33	unknown	https://doi.org/10.1074/JBC.M314195200
[(2R,3S,4R,5S)-3,4-dihydroxy-5-[(4S,5R)-6-[(E)-4-hydroxy-3-methylbut-2-enyl]imino-4,5-dihydro-1H-purin-9-yl]oxolan-2-yl] dihydrogen phosphate	163041557	Click to see CC(=CCN=C1C2C(N=CN1)N(C=N2)C3C(C(C(O3)OP(=O)(O)O)O)O)CO	419.33	unknown	https://doi.org/10.1074/JBC.M314195200
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-sulfanyloxolan-3-ol	129653012	Click to see CCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)S)O	281.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
2-(3-methylbut-3-enyl)-7H-purin-6-amine	10352842	Click to see CC(=C)CCC1=NC(=C2C(=N1)N=CN2)N	203.24	unknown	https://doi.org/10.1074/JBC.M314195200
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines / 6-alkylaminopurines
(2r)-2-Methyl-4-(7h-Purin-6-Ylamino)butan-1-Ol	688447	Click to see CC(CCNC1=NC=NC2=C1NC=N2)CO	221.26	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol	439631	Click to see CC(CCNC1=NC=NC2=C1NC=N2)CO	221.26	unknown	https://doi.org/10.1034/J.1399-3054.2003.00094.X
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol	15419	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	219.24	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
cis-Zeatin	688597	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	219.24	unknown	https://doi.org/10.1074/JBC.M314195200
N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine	92180	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)C	203.24	unknown	https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
trans-Zeatin	449093	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	219.24	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2012.11.023 https://doi.org/10.1074/JBC.M314195200 https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Uric Acid	1175	Click to see C12=C(NC(=O)N1)NC(=O)NC2=O	168.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1111/TPJ.14311
> Organoheterocyclic compounds / Indoles and derivatives / Hydroxyindoles
4-hydroxy-1H-indole-3-carbaldehyde	9815282	Click to see C1=CC2=C(C(=C1)O)C(=CN2)C=O	161.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
5-Hydroxyindole-3-acetaldehyde	74688	Click to see C1=CC2=C(C=C1O)C(=CN2)CC=O	175.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives
D-glucosyl indole-3-carboxylate	66655952	Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)OC3C(C(C(C(O3)CO)O)O)O	323.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Indole-3-carboxylic acid	69867	Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)O	161.16	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Methyl indole-3-carboxylate	589098	Click to see COC(=O)C1=CNC2=CC=CC=C21	175.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
1-Methoxyindole-3-carbaldehyde	398554	Click to see CON1C=C(C2=CC=CC=C21)C=O	175.18	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
3-Isothiocyanato-4-methoxy-1H-indole	16102148	Click to see COC1=CC=CC2=C1C(=CN2)N=C=S	204.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2007.10.032
6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole	11160579	Click to see COC1=CC2=C(C=C1)C(=CN2)C3=NC=CS3	230.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Camalexin	636970	Click to see C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3	200.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158161/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC419588/
Indole-3-carboxaldehyde	10256	Click to see C1=CC=C2C(=C1)C(=CN2)C=O	145.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
(1H-Indol-3-yl)methanamine	472107	Click to see C1=CC=C2C(=C1)C(=CN2)CN	146.19	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
(4-methoxy-1H-indol-3-yl)methanamine	10931962	Click to see COC1=CC=CC2=C1C(=CN2)CN	176.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
[(2S,3R)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate	138454307	Click to see C1=CC=C2C(=C1)C(=CN2)C(C(COP(=O)(O)O)O)O	287.21	unknown	https://doi.org/10.1046/J.1365-313X.2000.00883.X
1-Methoxy-3-(aminomethyl)indole	11332792	Click to see CON1C=C(C2=CC=CC=C21)CN	176.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
1H-Indole-3-acetonitrile, 1-methoxy-	11954881	Click to see CON1C=C(C2=CC=CC=C21)CC#N	186.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole	14206111	Click to see CON1C=C(C2=CC=CC=C21)CN=C=S	218.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
3-Ethyl-1-methoxyindole	68023567	Click to see CCC1=CN(C2=CC=CC=C21)OC	175.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/
3-Indoleacetonitrile	351795	Click to see C1=CC=C2C(=C1)C(=CN2)CC#N	156.18	unknown	https://doi.org/10.1111/TPJ.14311 https://doi.org/10.1007/S004250050576 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC47773/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
4-Methoxy-3-indolylmethylisothiocyanate	14206109	Click to see COC1=CC=CC2=C1C(=CN2)CN=C=S	218.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Indole-3-carbinol	3712	Click to see C1=CC=C2C(=C1)C(=CN2)CO	147.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Indole-3-glycerol phosphate	444150	Click to see C1=CC=C2C(=C1)C(=CN2)C(C(COP(=O)(O)O)O)O	287.21	unknown	https://doi.org/10.1046/J.1365-313X.2000.00883.X
Indolylmethylthiohydroximate	24892785	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=S)NO	206.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC111174/
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
3-Hydroxy-3-(thiazol-2-yl)indolin-2-one	5297666	Click to see C1=CC=C2C(=C1)C(C(=O)N2)(C3=NC=CS3)O	232.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	3080590	Click to see C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O	191.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877806/
2-Oxo-2H-indole-3-acetic acid	11788737	Click to see C1=CC2=C(C(=O)N=C2C=C1)CC(=O)O	189.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877806/
DL-Tryptophan	1148	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/J.1365-3040.2008.01819.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Tryptophan	6305	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://doi.org/10.1111/J.1365-3040.2008.01819.X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC47773/ https://doi.org/10.1111/TPJ.14311
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
[(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-(1H-indol-3-yl)acetate	154496032	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)OC3C(OC(C(C3O)O)O)CO	337.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160795/
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://doi.org/10.1007/S004250050576 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3894777/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC47773/
Methyl 4-Methoxyindole-3-acetate	53419525	Click to see COC1=CC=CC2=C1C(=CN2)CC(=O)OC	219.24	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2007.10.032
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid	98285	Click to see C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O	216.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate	3288669	Click to see C1C([NH2+]CC2=C1C3=CC=CC=C3N2)C(=O)[O-]	216.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives
Tryptamine	1150	Click to see C1=CC=C2C(=C1)C(=CN2)CCN	160.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives / Serotonins
Serotonin	5202	Click to see C1=CC2=C(C=C1O)C(=CN2)CCN	176.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3R,4S)-3,4-dihydroxyoxolan-2-one	2724794	Click to see C1C(C(C(=O)O1)O)O	118.09	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
5-(1,2-Dihydroxyethyl)oxolane-2,3,4-trione	835	Click to see C(C(C1C(=O)C(=O)C(=O)O1)O)O	174.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Dehydroascorbic acid	440667	Click to see C(C(C1C(=O)C(=O)C(=O)O1)O)O	174.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Glucurolactone	92283	Click to see C(=O)C(C1C(C(C(=O)O1)O)O)O	176.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones
(2R)-5,6,8-trihydroxy-2-methyl-9-[(2R)-5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl]-2,3-dihydrobenzo[g]chromen-4-one	40525734	Click to see CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O	518.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxepanes
(3S,5R,6S,7E)-5,6-Epoxy-3-hydroxy-7-megastigmen-9-one	14605580	Click to see CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C	224.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
4-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one	181574	Click to see CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C	224.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Levoglucosan	2724705	Click to see C1C2C(C(C(C(O1)O2)O)O)O	162.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://doi.org/10.1111/TPJ.14311
> Organoheterocyclic compounds / Pteridines and derivatives / Alloxazines and isoalloxazines / Flavins
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol	1072	Click to see CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O	376.40	unknown	https://doi.org/10.1016/S0031-9422(00)00013-3
Lumichrome	5326566	Click to see CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3	242.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Riboflavin	493570	Click to see CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O	376.40	unknown	https://doi.org/10.1016/S0031-9422(00)00013-3
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives
6-Hydroxymethyl-7,8-dihydropterin	135398568	Click to see C1C(=NC2=C(N1)N=C(NC2=O)N)CO	195.18	unknown	https://doi.org/10.1016/J.JMB.2004.04.034
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Biopterins and derivatives
[[(2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate	121885	Click to see C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	495.17	unknown	https://doi.org/10.1016/J.JMB.2004.04.034
> Organoheterocyclic compounds / Pyrans
(8R)-5-hydroxy-2,2,8-trimethyl-8-(3-methylbut-2-enyl)-6-(3-phenylpropanoyl)chromen-7-one	163082629	Click to see CC(=CCC1(C2=C(C=CC(O2)(C)C)C(=C(C1=O)C(=O)CCC3=CC=CC=C3)O)C)C	406.50	unknown	https://doi.org/10.3987/COM-06-S(O)33 https://doi.org/10.1021/NP0495938 https://doi.org/10.1016/S0040-4039(03)01148-1 https://doi.org/10.3987/COM-10-12092
> Organoheterocyclic compounds / Pyridines and derivatives
4-Phenyl-3-pyridin-2-ylbut-2-en-1-ol	140728338	Click to see C1=CC=C(C=C1)CC(=CCO)C2=CC=CC=N2	225.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Dihydropyridines
4-Hydroxypyridine	12290	Click to see C1=CNC=CC1=O	95.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Pyridinones
2-Hydroxypyridine	8871	Click to see C1=CC(=O)NC=C1	95.10	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://doi.org/10.1111/TPJ.14311
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridine carboxaldehydes / Pyridoxals and derivatives
Pyridoxal	1050	Click to see CC1=NC=C(C(=C1O)C=O)CO	167.16	unknown	https://doi.org/10.1007/S00425-002-0799-0
Pyridoxal phosphate	1051	Click to see CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O	247.14	unknown	https://doi.org/10.1007/S00425-002-0799-0
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
6-Hydroxynicotinic acid	72924	Click to see C1=CC(=O)NC=C1C(=O)O	139.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Isonicotinic acid	5922	Click to see C1=CN=CC=C1C(=O)O	123.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Nicotinic acid	938	Click to see C1=CC(=CN=C1)C(=O)O	123.11	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/ https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium	199845	Click to see C[N+](C)(C)CCOC(=O)C1=CN=CC=C1	209.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxamines / Pyridoxamine 5-phosphates
Pyridoxamine	1052	Click to see CC1=NC=C(C(=C1O)CN)CO	168.19	unknown	https://doi.org/10.1007/S00425-002-0799-0
Pyridoxamine phosphate	1053	Click to see CC1=NC=C(C(=C1O)CN)COP(=O)(O)O	248.17	unknown	https://doi.org/10.1007/S00425-002-0799-0
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines
Pyridoxine	1054	Click to see CC1=NC=C(C(=C1O)CO)CO	169.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines / Pyridoxine-5-phosphates
Pyridoxine phosphate	1055	Click to see CC1=NC=C(C(=C1O)CO)COP(=O)(O)O	249.16	unknown	https://doi.org/10.1007/S00425-002-0799-0
> Organoheterocyclic compounds / Tetrapyrroles and derivatives
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-22-(3-methoxy-3-oxopropyl)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate	136888469	Click to see CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)C	620.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Methyl pheophorbide a	135407639	Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C	606.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Porphyrins
Porphyrin	66868	Click to see C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2	310.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> Organoheterocyclic compounds / Thiiranes / Epithionitriles
2-[(2R)-thiiran-2-yl]acetonitrile	162870481	Click to see C1C(S1)CC#N	99.16	unknown	https://doi.org/10.1105/TPC.13.12.2793
> Organosulfur compounds / Sulfoxides
1-Cyano-8-(methylsulfinyl)heptane	121232644	Click to see CS(=O)CCCCCCCC#N	187.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
1-Cyano-8-(methylsulfinyl)octane	85993300	Click to see CS(=O)CCCCCCCCC#N	201.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
5-[(R)-methylsulfinyl]pentanenitrile	140989117	Click to see CS(=O)CCCCC#N	145.23	unknown	https://doi.org/10.1105/TPC.13.12.2793
7-(Methylsulfinyl)heptylamine	121232645	Click to see CS(=O)CCCCCCCN	177.31	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
8-(Methylsulfinyl)octylamine	121232648	Click to see CS(=O)CCCCCCCCN	191.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
8-Methylsulfinyloctyl isothiocyanate	9794659	Click to see CS(=O)CCCCCCCCN=C=S	233.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Iberin	10455	Click to see CS(=O)CCCN=C=S	163.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Sulforaphane	5350	Click to see CS(=O)CCCCN=C=S	177.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
> Organosulfur compounds / Thioethers / Dialkylthioethers
8-(Methylthio)octylamine	19892123	Click to see CSCCCCCCCCN	175.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid	14274765	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC(=O)O	372.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Buddlenol B	21627696	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)C=CCO	584.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
Glycosmisic acid 4'-sulfate	121232655	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OS(=O)(=O)O)OC)C=CC(=O)O	452.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Glycosmisic acid sulfate	121232656	Click to see COC1=CC(=CC2=C1OC(C2COS(=O)(=O)O)C3=CC(=C(C=C3)O)OC)C=CC(=O)O	452.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl-	8784	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Cinnamic acid	444539	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	https://doi.org/10.2307/3869512
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
Dihydroxyferuloyl-sinapoyl spermidine	44237378	Click to see COC1=CC(=CC(=C1O)O)C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)C(=O)C=CC3=CC(=C(C(=C3)OC)O)O	735.80	unknown	https://doi.org/10.1111/J.1365-313X.2008.03576.X
Sinapoyl spermidine	129847081	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)NCCCCNCCCN	351.40	unknown	https://doi.org/10.1016/S0031-9422(00)88735-X
Sinapoylapfelsaure	129650237	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)C(CC(=O)O)(C(=O)O)O	340.28	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Trihydroxyferuloyl spermidine	44237218	Click to see COC1=CC(=CC(=C1O)O)C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC(=C(C(=C2)OC)O)O)C(=O)C=CC3=CC(=C(C(=C3)OC)O)O	721.70	unknown	https://doi.org/10.1111/J.1365-313X.2008.03576.X
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2E)-3-(4-{[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid	121232654	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)OC(CO)C(C2=CC(=C(C=C2)O)OC)OS(=O)(=O)O	470.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
(3S)-3-hydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid	163191433	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(=O)C(CC(=O)O)O	340.28	unknown	https://doi.org/10.2307/3869512
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid	11953815	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(CC(=O)O)C(=O)O	340.28	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
[2-Hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl]-trimethylazanium	163192343	Click to see C[N+](C)(C)CC(O)OC(=O)C=CC1=CC(=C(C=C1)O)OC	296.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid	53779314	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(CC(=O)O)C(=O)O	340.28	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
3-hydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid	141184491	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(=O)C(CC(=O)O)O	340.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-S-[(1Z)-5-(methanesulfinyl)-N-sulfopent-4-enimidoyl]-1-thio-beta-D-glucopyranose	134160261	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)SC(=NS(=O)(=O)O)CCC=CS(=O)C)O)O)O	625.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Feruloylcholine	131751314	Click to see C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C=C1)O)OC	280.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/
p-Coumaroylagmatine	5280691	Click to see C1=CC(=CC=C1C=CC(=O)NCCCCN=C(N)N)O	276.33	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
sinapic acid (S)-malate ester	5280548	Click to see COC1=CC(=CC(=C1OC(=O)C(CC(=O)O)O)OC)C=CC(=O)O	340.28	unknown	https://doi.org/10.2307/3869512
Sinapine	5280385	Click to see C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC	310.36	unknown	https://doi.org/10.2307/3869544 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1515/ZNC-1992-9-1007
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Hydroxycinnamic acid glycosides
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	4628123	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O	386.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
1-O-Sinapoyl-beta-D-glucose	5280406	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O	386.30	unknown	https://doi.org/10.2307/3869544 https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1111/TPJ.13797 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
5-Hydroxyferulic acid	446834	Click to see COC1=CC(=CC(=C1O)O)C=CC(=O)O	210.18	unknown	https://doi.org/10.2307/3869512
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.2307/3869512 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
cis-Sinapic acid	1549091	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009 https://doi.org/10.2307/3869512
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.2307/3869512 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Sinapic acid	10743	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.2307/3869512 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://doi.org/10.1016/J.PHYTOCHEM.2003.12.009
> Phenylpropanoids and polyketides / Cinnamyl alcohols
1,2-Benzenediol, 4-[(1E)-3-hydroxy-1-propenyl]-	361171	Click to see C1=CC(=C(C=C1C=CCO)O)O	166.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC341741/
Caffeyl alcohol	5282096	Click to see C1=CC(=C(C=C1C=CCO)O)O	166.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC341741/
> Phenylpropanoids and polyketides / Coumarins and derivatives
Coumarin	323	Click to see C1=CC=C2C(=C1)C=CC(=O)O2	146.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one	22816386	Click to see C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	324.28	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.006
Esculin	5281417	Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O	340.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Scopolin	439514	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	354.31	unknown	https://doi.org/10.1111/TPJ.13797 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
Methoxsalen	4114	Click to see COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	216.19	unknown	https://doi.org/10.1111/TPJ.14311
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin	5281416	Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O	178.14	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.11.006 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	360757	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(+/-)-Epicatechin	255538	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol	154496889	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	https://doi.org/10.1046/J.1365-313X.2003.01834.X
Leucocianidol	440833	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	https://doi.org/10.1039/B105576N
Leucocyanidin	71629	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	https://doi.org/10.1039/B105576N
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1046/J.1365-313X.2003.01834.X
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(+)-Epiaromadendrin	11449086	Click to see C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	288.25	unknown	https://doi.org/10.1046/J.1365-313X.2003.01834.X
Taxifolin	439533	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	https://doi.org/10.1046/J.1365-313X.2003.01834.X https://doi.org/10.1039/B105576N
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 3-O-p-coumaroyl glycosides / Anthocyanidin 3-O-6-p-coumaroyl glycosides
3-[[(2S,3S,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-3-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-[[(E)-3-[4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	163191928	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)COC(=O)C=CC7=CC=C(C=C7)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O	1138.00	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
3-[[(2S,3S,4S,5R,6R)-6-[3-[(2R,3S,4S,5R,6S)-3-[(2R,3S,4R,5R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-3-[4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	163192166	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(COC2OC3C(C(C(OC3OC4=C([O+]=C5C=C(C=C(C5=C4)OC6C(C(C(C(O6)COC(=O)CC(=O)O)O)O)O)O)C7=CC(=C(C=C7)O)O)COC(=O)C=CC8=CC=C(C=C8)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O	1344.20	unknown	https://doi.org/10.1016/S0031-9422(01)00460-5
Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside	44256802	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)COC(=O)C=CC7=CC=C(C=C7)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O	1051.90	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	139031039	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O	743.60	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside	44256800	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(COC2OC3C(C(C(OC3OC4=C([O+]=C5C=C(C=C(C5=C4)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O)CO)O)O)O)O	949.80	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside	44256799	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O	829.70	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl 3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate	101695775	Click to see COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O	949.80	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
[(2R,3S,4S,5S,6S)-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl (E)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate	163195463	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(COC2OC3C(C(C(OC3OC4=C([O+]=C5C=C(C=C(C5=C4)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O)COC(=O)C=CC8=CC=C(C=C8)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O	1258.10	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
[(2R,3S,4S,5S,6S)-5-[(2S,3S,4S,5S)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate	163186171	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(COC2OC3C(C(C(OC3OC4=C([O+]=C5C=C(C=C(C5=C4)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O)COC(=O)C=CC8=CC=C(C=C8)O)O)O)O)O	1096.00	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
3-[[(2R,3S,4R,5S,6S)-6-[3-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	163190798	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)COC(=O)C=CC7=CC=C(C=C7)O)O)O)O)O)O	975.80	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-chromen-4-one	5353915	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5378597	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5462193	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Quercitrin	5280459	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	162997174	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)OC5C(C(C(OC5O)CO)O)O)C6=CC=C(C=C6)O)O)O)O)O	740.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
3-[4,5-Dihydroxy-6-methyl-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one	162997173	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)OC5C(C(C(OC5O)CO)O)O)C6=CC=C(C=C6)O)O)O)O)O	740.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	139031034	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O	756.70	unknown	https://doi.org/10.1034/J.1399-3054.1995.930404.X
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	94858219	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.1034/J.1399-3054.1995.930404.X
Flavonol base + 4O, O-dHex, O-dHex	14351556	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O	594.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4021374/ https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Flavonol base + 4O, O-dHex, O-Hex-dHex	23760107	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O	756.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Kaempferitrin	12305419	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside	14353457	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	740.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Kaempferol 3-galactoside-7-rhamnoside	139031079	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1111/J.1365-313X.2005.02371.X
Kaempferol 3-gentiobioside-7-rhamnoside	10652679	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O	756.70	unknown	https://doi.org/10.1021/NP990080O
Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside	74428193	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O	756.70	unknown	https://doi.org/10.1021/NP990080O
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside	10485148	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	740.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside	21606527	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021 https://doi.org/10.1016/S0031-9422(01)00460-5 https://doi.org/10.1021/NP990080O
kaempferol 3-O-beta-D-glucopyranosyl-7-O-beta-L-rhamnopyranoside	25202803	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
Kaempferol 3,7-diglucoside	6325460	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	via CMAUP database
Kaempferol-3-O-glucoside-7-O-rhamnoside	14035324	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008 https://doi.org/10.1021/NP990080O https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Lespedin	5486199	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.1016/S0031-9422(01)00460-5 https://doi.org/10.1021/NP990080O https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Lespedin;Lespenephryl	12305415	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3991749/ https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008 https://doi.org/10.1021/NP990080O https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin 3-galactoside 7-rhamnoside	14130922	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008 https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin 3-rhamnoside-7-glucoside	6325870	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O	610.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Quercetin 3,7-dirhamnoside	15953752	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin 7-rhamnoside	14130919	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin-3-neohesperidoside-7-rhamnoside	10327769	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O	756.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
quercetin-3-O-glucoside-7-O-rhamnoside	49842399	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
Vincetoxicoside A	25080064	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Vincetoxicoside B	5748601	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones
3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4H-chromen-4-one	638205	Click to see COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)OC)OC	342.30	unknown	https://doi.org/10.1111/TPJ.14311 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
Naringenin chalcone	5280960	Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O	272.25	unknown	https://doi.org/10.1046/J.1365-313X.2003.01834.X
> Phenylpropanoids and polyketides / Macrolide lactams
12-[1-(3,4-Dihydroxycyclohexyl)propan-2-yl]-1-hydroxy-15-(hydroxymethyl)-23,27-dimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone	85084041	Click to see CC1CCC2C(C(=O)C=CCCC=CC(CCC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)O)O)CO)C	675.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Phenylpropanoids and polyketides / Phenylpropanoic acids
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid	9378	Click to see C1=CC(=CC=C1CC(C(=O)O)O)O	182.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
3-Phenylpropionic acid	107	Click to see C1=CC=C(C=C1)CCC(=O)O	150.17	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Uncategorized
7-Methylthioheptanonitrile oxide	46173364	Click to see CSCCCCCCC#[N+][O-]	173.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/

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Arabidopsis thaliana

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