Scientific name	Authority	First published in
Mentha auricularia	Blanco	Fl. Filip., ed. 2 : 329 (1845)
Mentha cablin	Blanco	Fl. Filip. : 473 (1837)
Pogostemon battakianus	Ridl.	J. Malayan Branch Roy. Asiat. Soc. 1: 85 (1923)
Pogostemon comosus	Miq.	Fl. Ned. Ind. 2: 963 (1859)
Pogostemon javanicus	Backer ex Adelb.	Reinwardtia 3: 150 (1954)
Pogostemon mollis	Hassk.	Tijdschr. Natuurl. Gesch. Physiol. 10: 126 (1843)
Pogostemon patchouly	Pellet.-Saut.	Mém. Soc. Sci. Phys. Orléans 5: 277 (1845)
Pogostemon suavis	Ten.	Giorn. Bot. Ital. 2: 56 (1847)
Pogostemon tomentosus	Hassk.	Cat. Hort. Bot. Bogor. Alt. : 131 (1844)
Pogostemon patchouli var. suavis	(Ten.) Hook.f.	Fl. Brit. India 4(12): 634 1885

Common names Top

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Filter by language:

Language	Common/alternative name
English	patchouli
ace	nilam
Arabic	بتشول
Azerbaijani	paçuli poqostemonu
Belarusian	пачулі
Catalan	patxulí
Czech	pačule obecná
German	indisches patschuli
Basque	patxuli
Persian	پتچولی
Finnish	patsuli
French	patchouli
Irish	paitsiúilí
Hebrew	פצ'ולי
Hindi	पचौली
Hungarian	pacsuli
Indonesian	nilam
io	pachulio
Japanese	パチョリ
Georgian	პაჩული
Kannada	ಪಚ್ಚೆತೆನೆ
Korean	파출리
Lithuanian	tikrasis pačiulis
Malayalam	പച്ചോളി
Malay	nilam
Malay	pokok nilam
Burmese	သနပ်ပစ္စည်း
Norwegian Bokmål	patchouli
nia	fanikha nila
Dutch	patchouli
oc	patcholí
Polish	paczulka wonna
Portuguese	patchouli
Russian	пачули
Russian	индийские пачули
Swedish	patchouli
Tamil	குளவி
Thai	พิมเสน
Ukrainian	пачулі
Urdu	پچولی
Vietnamese	hoắc hương
Chinese	藿香
Chinese	广藿香
Chinese	广蕾香
Chinese	到手香

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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No subvariety added yet.

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

Asia-temperate click to expand
- China
  - China Southeast
  - Hainan
- Eastern Asia
  - Taiwan

Asia-tropical click to expand
- Indian Subcontinent
  - Sri Lanka
- Indo-China
  - Thailand
  - Vietnam
- Malesia
  - Jawa
  - Lesser Sunda Islands
  - Malaya
  - Philippines
  - Sulawesi
  - Sumatera
- Papuasia
  - New Guinea

Pacific click to expand
- Southwestern Pacific
  - Fiji
  - Samoa
  - Tonga

Southern America click to expand
- Caribbean
  - Trinidad-Tobago

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000279652
UNII	H6UKY25H2P
USDA Plants	POCA42
Tropicos	17602322
INPN	630459
KEW	urn:lsid:ipni.org:names:454827-1
The Plant List	kew-162094
Open Tree Of Life	595162
NCBI Taxonomy	28511
IPNI	454827-1
iNaturalist	277910
GBIF	2926672
Freebase	/m/01rqnz
EPPO	POTCA
EOL	483839
USDA GRIN	29154
Wikipedia	Patchouli
CMAUP	NPO29463

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
GCA_023678885.1	GZUCM_PCab_1.0	Chromosome	Guangzhou University of Chinese Medicine	2022-06-08	160.0x	1.81 Gb

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

Strategies, Achievements, and Potential Challenges of Plant and Microbial Chassis in the Biosynthesis of Plant Secondary Metabolites

Han T, Miao G

Molecules

02-May-2024

PMCID:	PMC11085123
doi:	10.3390/molecules29092106
PMID:	38731602

Systematic Review of Chemical Compounds with Immunomodulatory Action Isolated from African Medicinal Plants

Nikiema WA, Ouédraogo M, Ouédraogo WP, Fofana S, Ouédraogo BH, Delma TE, Amadé B, Abdoulaye GM, Sawadogo AS, Ouédraogo R, Semde R

Molecules

26-Apr-2024

PMCID:	PMC11085867
doi:	10.3390/molecules29092010
PMID:	38731500

Sandalwood Oils of Different Origins Are Active In Vitro against Madurella mycetomatis, the Major Fungal Pathogen Responsible for Eumycetoma

Abd Algaffar SO, Seegers S, Satyal P, Setzer WN, Schmidt TJ, Khalid SA

Molecules

18-Apr-2024

PMCID:	PMC11055130
doi:	10.3390/molecules29081846
PMID:	38675665

Active metabolites combination therapies: towards the next paradigm for more efficient and more scientific Chinese medicine

Gao Q, Wu H, Chen M, Gu X, Wu Q, Xie T, Sui X

Front Pharmacol

18-Apr-2024

PMCID:	PMC11063311
doi:	10.3389/fphar.2024.1392196
PMID:	38698817

Allopolyploid origin and diversification of the Hawaiian endemic mints

Tomlin CM, Rajaraman S, Sebesta JT, Scheen AC, Bendiksby M, Low YW, Salojärvi J, Michael TP, Albert VA, Lindqvist C

Nat Commun

10-Apr-2024

PMCID:	PMC11006916
doi:	10.1038/s41467-024-47247-y
PMID:	38600100

The traditional uses, pharmacology, and phytochemistry of Peucedanum praeruptorum Dunn

Wang Q, Sun Q, Huang Q, Qin L, Zhu B

Front Pharmacol

03-Apr-2024

PMCID:	PMC11021687
doi:	10.3389/fphar.2024.1352657
PMID:	38633612

Biosynthesis Progress of High-Energy-Density Liquid Fuels Derived from Terpenes

Liu J, Lin M, Han P, Yao G, Jiang H

Microorganisms

30-Mar-2024

PMCID:	PMC11052473
doi:	10.3390/microorganisms12040706
PMID:	38674649

Licorice extract inhibits porcine epidemic diarrhea virus in vitro and in vivo

Bai W, Zhu Q, Wang J, Jiang L, Guo D, Li C, Xing X, Sun D

J Gen Virol

12-Mar-2024

PMCID:	PMC10999743
doi:	10.1099/jgv.0.001964
PMID:	38471043

Plant Essential Oils: Dual Action of Toxicity and Egg-Laying Inhibition on Tetranychus urticae (Acari: Tetranychidae), Unveiling Their Potential as Botanical Pesticides

Zhu Y, Wu T, Hu Q, He W, Zheng Y, Xie Y, Rao Q, Liu X

Plants (Basel)

08-Mar-2024

PMCID:	PMC10975855
doi:	10.3390/plants13060763
PMID:	38592755

A multi-center cross-sectional study of Chinese Herbal Medicine-Drug adverse reactions using active surveillance in Singapore’s Traditional Chinese Medicine clinics

Ng CY, Zhao Y, Wang N, Chia KL, Teo CH, Peh W, Yeo P, Zhong LL

Chin Med

07-Mar-2024

PMCID:	PMC10918936
doi:	10.1186/s13020-024-00915-z
PMID:	38454483

Chaenomelin, a New Phenolic Glycoside, and Anti-Helicobacter pylori Phenolic Compounds from the Leaves of Salix chaenomeloides

Kim KA, Kang DM, Ko YJ, Ra MJ, Jung SM, Yu JN, Ahn MJ, Kim KH

Plants (Basel)

29-Feb-2024

PMCID:	PMC10935347
doi:	10.3390/plants13050701
PMID:	38475547

Engineering Terpene Production Pathways in Methylobacterium extorquens AM1

Hurt A, Bibik JD, Martinez-Gomez NC, Hamberger B

Microorganisms

29-Feb-2024

PMCID:	PMC10974752
doi:	10.3390/microorganisms12030500
PMID:	38543551

High-quality genome assembly enables prediction of allele-specific gene expression in hybrid poplar

Shi TL, Jia KH, Bao YT, Nie S, Tian XC, Yan XM, Chen ZY, Li ZC, Zhao SW, Ma HY, Zhao Y, Li X, Zhang RG, Guo J, Zhao W, El-Kassaby YA, Müller N, Van de Peer Y, Wang XR, Street NR, Porth I, An X, Mao JF

Plant Physiol

27-Feb-2024

PMCID:	PMC11060683
doi:	10.1093/plphys/kiae078
PMID:	38412470

Calocedrus formosana Essential Oils Induce ROS-Mediated Autophagy and Apoptosis by Targeting SIRT1 in Colon Cancer Cells

Islam A, Chang YC, Tsao NW, Wang SY, Chueh PJ

Antioxidants (Basel)

26-Feb-2024

PMCID:	PMC10967316
doi:	10.3390/antiox13030284
PMID:	38539819

Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review

Zhou E, Shen Q, Hou Y

Front Pharmacol

23-Feb-2024

PMCID:	PMC10921893
doi:	10.3389/fphar.2024.1181183
PMID:	38464717

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
> Benzenoids / Benzene and substituted derivatives
(r)-Mandelic acid	11914	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	via CMAUP database
(S)-Mandelic acid	439616	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	via CMAUP database
Mandelic Acid	1292	Click to see C1=CC=C(C=C1)C(C(=O)O)O	152.15	unknown	https://doi.org/10.1021/JF304466T
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Dibutyl Phthalate	3026	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	278.34	unknown	via CMAUP database
Diisobutyl phthalate	6782	Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C	278.34	unknown	via CMAUP database
Diisooctyl phthalate	33934	Click to see CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C	390.60	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoate	54675866	Click to see C1=CC(=C(C=C1C(=O)O)O)[O-]	153.11	unknown	via CMAUP database
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	via CMAUP database
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Acylsalicylic acids and derivatives / Acylsalicylic acids
Aspirin	2244	Click to see CC(=O)OC1=CC=CC=C1C(=O)O	180.16	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	via CMAUP database
p-Anisaldehyde-\|A-d1	11252044	Click to see COC1=CC=C(C=C1)C=O	137.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
Butylated Hydroxytoluene	31404	Click to see CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C	220.35	unknown	via CMAUP database
> Benzenoids / Naphthalenes
N-Phenyl-1-naphthylamine	7013	Click to see C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32	219.28	unknown	via CMAUP database
> Benzenoids / Naphthalenes / Naphthalenecarboxylic acids and derivatives / Naphthalenecarboxylic acids
1-Hydroxy-2-naphthoic acid	6844	Click to see C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O	188.18	unknown	https://doi.org/10.1021/JF304466T
> Benzenoids / Phenanthrenes and derivatives
Phenanthrene	995	Click to see C1=CC=C2C(=C1)C=CC3=CC=CC=C32	178.23	unknown	via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
Anethole	637563	Click to see CC=CC1=CC=C(C=C1)OC	148.20	unknown	via CMAUP database
Anethole, (Z)-	1549040	Click to see CC=CC1=CC=C(C=C1)OC	148.20	unknown	via CMAUP database
Elemicin	10248	Click to see COC1=CC(=CC(=C1OC)OC)CC=C	208.25	unknown	via CMAUP database
Estragole	8815	Click to see COC1=CC=C(C=C1)CC=C	148.20	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
(-)-Synephrine	854067	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
(+)-Synephrine	667452	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
(R)-synephrine	6951208	Click to see C[NH2+]CC(C1=CC=C(C=C1)O)O	168.21	unknown	via CMAUP database
Synephrine	7172	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Catechols
3,4-Dihydroxyphenylglycol	91528	Click to see C1=CC(=C(C=C1C(CO)O)O)O	170.16	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	via CMAUP database
Guaiacylglycerol	14579	Click to see COC1=C(C=CC(=C1)C(C(CO)O)O)O	214.21	unknown	via CMAUP database
Vanillylmandelic acid	1245	Click to see COC1=C(C=CC(=C1)C(C(=O)O)O)O	198.17	unknown	https://doi.org/10.1021/JF304466T
> Hydrocarbons / Polycyclic hydrocarbons
[1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene	12313993	Click to see CC1CCC2=C1CC3CCC2(C3(C)C)C	204.35	unknown	via CMAUP database
beta-Patchoulene	101731	Click to see CC1CCC2=C1CC3CCC2(C3(C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)83576-1 https://doi.org/10.1080/10412905.1989.9697758
Patchoulene	91746471	Click to see CC1CCC2=C1CC3CCC2(C3(C)C)C	204.35	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Nonadecane	12401	Click to see CCCCCCCCCCCCCCCCCCC	268.50	unknown	via CMAUP database
Nonane	8141	Click to see CCCCCCCCC	128.25	unknown	via CMAUP database
Octadecane	11635	Click to see CCCCCCCCCCCCCCCCCC	254.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(1S,3R,6R,7R,8R)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane	10889020	Click to see CC1CCC2(C(=C)C3CCC2(C1C3)C)C	204.35	unknown	via CMAUP database
1,5,11,11-Tetramethyltricyclo[6.2.1.02,6]undec-4-ene	5320427	Click to see CC1=CCC2C1CC3CCC2(C3(C)C)C	204.35	unknown	via CMAUP database
Seychellene	519743	Click to see CC1CCC2(C(=C)C3CCC2(C1C3)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80105-5 https://doi.org/10.1080/10412905.1989.9697758
> Lignans, neolignans and related compounds / Furanoid lignans
Epipaulownin	11068649	Click to see C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6	370.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
Acanthoside B	443024	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)O)OC	580.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Hydroxy fatty acids
(S)-2-Hydroxy-2-(isopropyl)succinic acid	5280523	Click to see CC(C)C(CC(=O)O)(C(=O)O)O	176.17	unknown	via CMAUP database
2-Isopropylmalic acid	77	Click to see CC(C)C(CC(=O)O)(C(=O)O)O	176.17	unknown	https://doi.org/10.1021/JF304466T
3-Hydroxy-3-methylpentanedioate	5459993	Click to see CC(CC(=O)[O-])(CC(=O)[O-])O	160.12	unknown	via CMAUP database
Meglutol	1662	Click to see CC(CC(=O)O)(CC(=O)O)O	162.14	unknown	https://doi.org/10.1021/JF304466T
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
2-Dodecyl-3-Methylbutanedioic Acid	99891	Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O	300.40	unknown	via CMAUP database
Elaidic Acid	637517	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Oleic acid-d2	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Maleamate	5460391	Click to see C(=CC(=O)[O-])C(=O)N	114.08	unknown	via CMAUP database
Maleamic acid	5280451	Click to see C(=CC(=O)O)C(=O)N	115.09	unknown	https://doi.org/10.1021/JF304466T
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid	16219560	Click to see C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O	358.30	unknown	https://doi.org/10.1021/JF304466T
Lactobionic acid	7314	Click to see C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O	358.30	unknown	via CMAUP database
Leucrose	165577	Click to see C(C1C(C(C(C(O1)OC(CO)C(C(C(=O)CO)O)O)O)O)O)O	342.30	unknown	https://doi.org/10.1021/JF304466T
Turanose	5460935	Click to see C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O	342.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Geranyl formate	5282109	Click to see CC(=CCCC(=CCOC=O)C)C	182.26	unknown	via CMAUP database
Nonyl Acetate	8918	Click to see CCCCCCCCCOC(=O)C	186.29	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(2S,4aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one	5316431	Click to see CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C	342.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
(1R,2E,4S,7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol	12444349	Click to see CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O	290.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives
[(2R,3R,4R,7S,10S,11S,14S)-3-acetyloxy-2,10,11-trihydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] (E)-3-phenylprop-2-enoate	5315893	Click to see CC1C(=O)CC2(C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)O)O)O	538.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids
(1S,8R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one	92278848	Click to see CC1(CC(=O)C=C2C13CCC(C3)C2(C)C)C	218.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-beta-Pinene	440967	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(1S,2S,6R,8R,10S)-5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undecan-2-ol	1747701	Click to see CC1(CCC(C23C14C2CC(C4)C3(C)C)O)C	220.35	unknown	via CMAUP database
(1S,3S,4S,5R,7S,8R,11S)-4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]undecane	102090480	Click to see CC1CCC2(C3(C1CC4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
Cycloseychellene	91711829	Click to see CC1CCC2(C3(C1CC4C2(C4C3)C)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80105-5
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate	3033955	Click to see CC(C)CC(=O)OC1C=C2C(C13CO3)C(OC=C2COC(=O)C)OC(=O)CC(C)C	422.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Perilla alcohol	369312	Click to see CC(=C)C1CCC(=CC1)CO	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-delta-Cadinene	12306055	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
(-)-gamma-Cadinene	92313	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	via CMAUP database
(+)-beta-Caryophyllene	20831623	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697758
(+)-gamma-Gurjunene	91748784	Click to see CC1CCC(C=C2C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
(+)-Thujopsene	11401461	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
(+)(-)-(E)-beta-caryophyllene	14757966	Click to see CC1(CC2C1CCC(=C)CCCC2=C)C	204.35	unknown	via CMAUP database
(1S,6S,8S,10R)-5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene	92179515	Click to see CC1(CC=CC23C14C2CC(C4)C3(C)C)C	202.33	unknown	via CMAUP database
(3aR)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene	11958028	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	via CMAUP database
(3R,5S)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene	6432384	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	via CMAUP database
(3R,6E)-nerolidol	11241545	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	5322111	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one	11820688	Click to see CC1CCC2C(=O)C3=C(CCC13C2(C)C)C	218.33	unknown	via CMAUP database
(7r,11r)-3-Methylene-7,11,15-trimethyl-1-hexadecene	92852046	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C	278.50	unknown	via CMAUP database
(E)-Thujopsene	91749973	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
(Z)-caryophyllene	6429301	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)]-	6432083	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	via CMAUP database
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-	6604672	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
alpha-Bulnesene	520826	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	https://doi.org/10.1016/J.FITOTE.2006.09.016
alpha-Farnesene-d6	10330772	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	210.39	unknown	via CMAUP database
alpha-Guaiene	5317844	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	https://doi.org/10.1016/J.FITOTE.2006.09.016 https://doi.org/10.1080/10412905.1989.9697758 https://doi.org/10.1016/J.ABB.2006.08.006
alpha-Patchoulene	521710	Click to see CC1CCC23C1CC(C2(C)C)CC=C3C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697758 https://doi.org/10.1016/S0031-9422(00)83576-1
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-	107152	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	https://doi.org/10.1016/J.ABB.2006.08.006 https://doi.org/10.1016/J.FITOTE.2006.09.016
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
beta-Guaiene	15560252	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
Cadina-1(10),4-diene	10223	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697758
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697758
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Caryophyllene oxide 2	13240188	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
CID 16212927	16212927	Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C	204.35	unknown	via CMAUP database
Cubebene	518814	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	via CMAUP database
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1aalpha,4abeta,8aR*)]-	6432451	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
Delta-Guaiene	94275	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	https://doi.org/10.1016/J.FITOTE.2006.09.016 https://doi.org/10.1080/10412905.1989.9697758
gamma-Gurjunene	90805	Click to see CC1CCC(C=C2C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
Guaiene	6949	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	via CMAUP database
Isocaryophyllene	5281522	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
Isocaryophyllene oxide	1742211	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Sesquichamene	97829	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
Thujopsene	442402	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
trans-beta-Guaiene	92173696	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene	6432176	Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C	204.35	unknown	via CMAUP database
Aristolone	165536	Click to see CC1CCCC2=CC(=O)C3C(C12C)C3(C)C	218.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Alloaromadendrene	10899740	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(+)-Alloaromadendrene	21775889	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	44584667	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa(e)azulen-7-ol	178323	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol	6432706	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
(4aR)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene	5317859	Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C	204.35	unknown	via CMAUP database
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-	6432640	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
4-Aromadendrene	21595259	Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C	204.35	unknown	via CMAUP database
Allo-Aromadendrene	42608158	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
Alloaromadendren	91746537	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
Aromadendrene	91354	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
beta-Spathulenol	522266	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Ent-Spathulenol	13854255	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Spathulenol	92231	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
[(1R,2R,5R,6R,7R)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol	92448143	Click to see CC1CCC2C13CC=C(C(C3)C2(C)CO)C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
2,4-Diisopropenyl-1-methyl-1-vinyl-cyclohexane	641756	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
Beta-Elemene	6918391	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	https://doi.org/10.1080/10412905.1989.9697758
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-	9859094	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
Elemene	6431152	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(2R,8R,8aS)-8,8a-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene	74427712	Click to see CC1CC=CC2=CCC(CC12C)C(=C)C	202.33	unknown	via CMAUP database
4-epi-Eremophilene	11160025	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
Nootkatene	25200342	Click to see CC1CC=CC2=CCC(CC12C)C(=C)C	202.33	unknown	via CMAUP database
Valencene	9855795	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	via CMAUP database
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]-	6432455	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
Germacrene B	5281519	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	https://doi.org/10.1002/FFJ.2730070608
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
(1R,3aR,4S,7R,8aR)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol	11241546	Click to see CC1CCC2C1CC(CCC2(C)O)C(=C)C	222.37	unknown	via CMAUP database
Aciphyllene	565709	Click to see CC1CCC(CC2=C(CCC12)C)C(=C)C	204.35	unknown	via CMAUP database
Pogostol	5320651	Click to see CC1CCC2C1CC(CCC2(C)O)C(=C)C	222.37	unknown	https://doi.org/10.1080/10412905.1989.9697758 https://doi.org/10.1016/S0944-7113(99)80041-5
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
(1R,6S)-gamma-himachalene	6428535	Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid	21607812	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	943.10	unknown	via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid	101260284	Click to see CC1C(C(C(C(O1)OC2C(C3(CCC4(C(=CCC5C4(CCC6C5(CCC(C6(C)CO)OC7C(C(C(C(O7)C(=O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C3CC2(C)C)C)C)O)O)O)O	959.10	unknown	via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid	101260285	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)OC9C(C(C(CO9)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	1091.20	unknown	via CMAUP database
(3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid	21607811	Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C	797.00	unknown	via CMAUP database
(4R)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid	11968807	Click to see CC1C(C(C(C(O1)OC(=O)C23CCC(CC2C4=CCC5C(C4(CC3)CO)(CCC6C5(CC(C(C6(C)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)(C)C)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)O)OC1C(C(C(CO1)O)O)O)O)OC1C(C(CO1)(CO)O)O)O)O)OC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC	1589.70	unknown	via CMAUP database
Dehydroazukisaponin V	16752255	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	941.10	unknown	via CMAUP database
soyasapogenol B 3-O-beta-glucuronide	13632905	Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C	634.80	unknown	via CMAUP database
Soyasaponin I	122097	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O	943.10	unknown	via CMAUP database
> 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/10.1021/JF304466T
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid	11853919	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C=CC=C(C)C=O	444.60	unknown	via CMAUP database
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid	71533522	Click to see CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C)C)C	430.60	unknown	via CMAUP database
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	45483610	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	via CMAUP database
(all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial	11102033	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O)C=CC=C(C)C=CC=C(C)C=O	428.60	unknown	via CMAUP database
3-Epioleanolic acid	11869658	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	via CMAUP database
Epifriedelanol	119242	Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O	428.70	unknown	via CMAUP database
Friedelin	91472	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C	426.70	unknown	via CMAUP database
Friedelinol	101341	Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O	428.70	unknown	via CMAUP database
Methyl oleanolate	92900	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC)C	470.70	unknown	via CMAUP database
Methyloleanolate	13818995	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC)C	470.70	unknown	via CMAUP database
Oleanolic Acid	10494	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C	456.70	unknown	via CMAUP database
Soyasapogenol B	115012	Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C	458.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines
(2R)-2-hydroxy-N-[(3R,4E,8E)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide	6444148	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	via CMAUP database
(2R)-2-hydroxy-N-[(3R,4E,8Z)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide	6450042	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	via CMAUP database
Soyacerebroside I	11104507	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	via CMAUP database
Soyacerebroside II	15599558	Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O	714.00	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol	6432744	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
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	via CMAUP database
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
Stigmast-4-en-3-one	5484202	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/S0944-7113(99)80041-5
> Nucleosides, nucleotides, and analogues / Purine nucleosides
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	via CMAUP database
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
L-Pyroglutamic acid	7405	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	via CMAUP database
> 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
2-Ammoniopropanoate	57383916	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
(Ethylammonio)acetate	6992079	Click to see CC[NH2+]CC(=O)[O-]	103.12	unknown	via CMAUP database
2-Azaniumylacetate	5257127	Click to see C(C(=O)[O-])[NH3+]	75.07	unknown	via CMAUP database
Iminodiacetic acid	8897	Click to see C(C(=O)O)NCC(=O)O	133.10	unknown	https://doi.org/10.1021/JF304466T
N-Ethylglycine	316542	Click to see CCNCC(=O)O	103.12	unknown	https://doi.org/10.1021/JF304466T
Piperidine-2-carboxylate	25200477	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
> 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)-piperidin-1-ium-2-carboxylate	6931662	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
> 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,3R)-2-azaniumyl-3-hydroxybutanoate	6971019	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
L-Aminohexanoate	6991974	Click to see CCCCC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
L-Norleucine	21236	Click to see CCCCC(C(=O)O)N	131.17	unknown	https://doi.org/10.1021/JF304466T
L-pipecolate	6931663	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
Threonine	6288	Click to see CC(C(C(=O)O)N)O	119.12	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate	44367445	Click to see C(C(C(=O)O)[NH3+])C(=O)[O-]	133.10	unknown	via CMAUP database
2-Azaniumyl-4-hydroxy-4-oxobutanoate	57397078	Click to see C(C(C(=O)[O-])[NH3+])C(=O)O	133.10	unknown	via CMAUP database
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
N-Methyl-L-glutamic acid	439377	Click to see CNC(CCC(=O)O)C(=O)O	161.16	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
2-Ammonio-3-methylpentanoate	57397079	Click to see CCC(C)C(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
DL-Isoleucine	791	Click to see CCC(C)C(C(=O)O)N	131.17	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
2-Amino-4-methylvaleric acid	7045798	Click to see CC(C)CC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
2-Azaniumyl-4-methylpentanoate	5255803	Click to see CC(C)CC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
L-Leucine, (S)-	312911	Click to see CC(C)CC(C(=O)O)NC(=NC(CC(C)C)C(=O)O)C1=CC=CC=C1	348.40	unknown	via CMAUP database
Leucine	6106	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	unknown	via CMAUP database
Proline	145742	Click to see C1CC(NC1)C(=O)O	115.13	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
Serine	5951	Click to see C(C(C(=O)O)N)O	105.09	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
(2S)-2-amino-3-methylbutanoate;hydron	88733505	Click to see [H+].CC(C)C(C(=O)[O-])N	117.15	unknown	via CMAUP database
Valine	6287	Click to see CC(C)C(C(=O)O)N	117.15	unknown	https://doi.org/10.1021/JF304466T
> 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/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Guanidinobutyrate	25200642	Click to see C(CC(=O)[O-])C[NH+]=C(N)N	145.16	unknown	via CMAUP database
4-Guanidinobutyric acid	500	Click to see C(CC(=O)O)CN=C(N)N	145.16	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid	5879967	Click to see CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O	353.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters / Methyl esters
Methyl Acetate	6584	Click to see CC(=O)OC	74.08	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Propionate ion	104745	Click to see CCC(=O)[O-]	73.07	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(E)-but-2-enedioate;hydron	21883788	Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-]	116.07	unknown	via CMAUP database
2-Oxo-2-oxonioacetate	18676629	Click to see [H+].[H+].C(=O)(C(=O)[O-])[O-]	90.03	unknown	via CMAUP database
Butanedioate;hydron	21952380	Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-]	118.09	unknown	via CMAUP database
CID 118211813	118211813	Click to see [H+].[H+].C(C(=O)[O-])(C(=O)[O-])O	120.06	unknown	via CMAUP database
Hydron;propanedioate	23511544	Click to see [H+].[H+].C(C(=O)[O-])C(=O)[O-]	104.06	unknown	via CMAUP database
Maleic Acid	444266	Click to see C(=CC(=O)O)C(=O)O	116.07	unknown	via CMAUP database
Malonic acid	867	Click to see C(C(=O)O)C(=O)O	104.06	unknown	https://doi.org/10.1021/JF304466T
Methylmalonic acid	487	Click to see CC(C(=O)O)C(=O)O	118.09	unknown	https://doi.org/10.1021/JF304466T
Oxalic acid-13C2 dihydrate	16213469	Click to see C(=O)(C(=O)O)O.O.O	128.05	unknown	via CMAUP database
Tartronic acid	45	Click to see C(C(=O)O)(C(=O)O)O	120.06	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
(+)-Dibenzoyl-D-tartaric acid	86498	Click to see C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O	358.30	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Alpha hydroxy acids and derivatives
2-Oxonioacetate	3698251	Click to see C(C(=O)[O-])[OH2+]	76.05	unknown	via CMAUP database
Hydron;2-hydroxypropanoate	19789253	Click to see [H+].CC(C(=O)[O-])O	90.08	unknown	via CMAUP database
Lactic Acid, L-	107689	Click to see CC(C(=O)O)O	90.08	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(S,S)-Tartrate	5460284	Click to see C(C(C(=O)[O-])O)(C(=O)[O-])O	148.07	unknown	via CMAUP database
3-Hydroxypropionic acid	68152	Click to see C(CO)C(=O)O	90.08	unknown	https://doi.org/10.1021/JF304466T
D-malate	92824	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://doi.org/10.1021/JF304466T
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
2-Acetylsalicylic acid	17841705	Click to see CC(=O)C1(C=CC=CC1C(=O)O)O	182.17	unknown	https://doi.org/10.1021/JF304466T
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Alkanolamines / 1,2-aminoalcohols
2-Amino-2-methyl-1,3-propanediol	1531	Click to see CC(CO)(CO)N	105.14	unknown	via CMAUP database
Sphingosine	5280335	Click to see CCCCCCCCCCCCCC=CC(C(CO)N)O	299.50	unknown	https://doi.org/10.1021/JF304466T
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Aralkylamines
(R)-2-Amino-1-phenylethanol	6951165	Click to see C1=CC=C(C=C1)C(CN)O	137.18	unknown	via CMAUP database
(S)-2-Amino-1-phenylethanol	643217	Click to see C1=CC=C(C=C1)C(CN)O	137.18	unknown	via CMAUP database
2-Amino-1-phenylethanol	1000	Click to see C1=CC=C(C=C1)C(CN)O	137.18	unknown	https://doi.org/10.1021/JF304466T
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,4-Diaminobutane	1045	Click to see C(CCN)CN	88.15	unknown	https://doi.org/10.1021/JF304466T
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(-)-Quinate	1560034	Click to see C1C(C(C(CC1(C(=O)[O-])O)O)O)O	191.16	unknown	via CMAUP database
(+)-Quinic acid	37439	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
cis-Chlorogenic acid	1794425	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
Quinic acid	6508	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
(+)-Shikimic acid	10986763	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
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	via CMAUP database
Shikimic acid	8742	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
Rel-(3S,4R)-2,5-Dimethylhexane-3,4-diol	13072631	Click to see CC(C)C(C(C(C)C)O)O	146.23	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Inositol	892	Click to see C1(C(C(C(C(C1O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(1R,2R,3R,4R,7S,8R)-4,8,11,11-tetramethyltricyclo[5.3.1.03,8]undecane-2,7-diol	163185485	Click to see CC1CCC2(C(C3CCC2(C1C3O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
(1R,3R,5R,6R,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,5-diol	25082528	Click to see CC1C2CC3CCC2(C(C3(C)C)(CC1O)O)C	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol	15484337	Click to see CC1CCC2(C(C3CCC2(C1(C3)O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
(1R,3R,6S,7S,8S,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol	25082523	Click to see CC1CCC2(C(C3CC1C2(CC3O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
(1S,3R,6S,7S,8R,9R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9-diol	15484338	Click to see CC1CCC2(C(C3CC1C2(C(C3)O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
(1S,3R,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol	129317601	Click to see CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O	222.37	unknown	https://doi.org/10.1080/10412905.1989.9697758 https://doi.org/10.1016/S0944-7113(99)80041-5 https://doi.org/10.1248/CPB.37.345
(1S,3S,4S,6R,7R,8R)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-diol	162921643	Click to see CC1(C2CCC3(C1(C(CC(C3C2)CO)O)O)C)C	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
(1S,3S,5S,6S,7R,8R,10R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,5,10-triol	163031568	Click to see CC1C2CC3C(CC2(C(C3(C)C)(CC1O)O)C)O	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
(1S,3S,6R,7R,8S,9R,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9,10-triol	162856871	Click to see CC1CCC2(C(C3CC1C2(C(C3O)O)C)(C)C)O	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
(6S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol	442384	Click to see CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O	222.37	unknown	https://doi.org/10.1080/10412905.1989.9697758 https://doi.org/10.1016/S0944-7113(99)80041-5 https://doi.org/10.1248/CPB.37.345 https://doi.org/10.1016/0031-9422(88)80105-5
2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol	72956616	Click to see CC1CCC2(C(C3CC1C2(CC3O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecane-3,5,10-triol	163031567	Click to see CC1C2CC3C(CC2(C(C3(C)C)(CC1O)O)C)O	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecane-3,9,10-triol	162856870	Click to see CC1CCC2(C(C3CC1C2(C(C3O)O)C)(C)C)O	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
4,8,11,11-Tetramethyltricyclo[5.3.1.03,8]undecane-2,7-diol	162843277	Click to see CC1CCC2(C(C3CCC2(C1C3O)C)(C)C)O	238.37	unknown	https://doi.org/10.1002/HLCA.201000151
6-(Hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-diol	162921642	Click to see CC1(C2CCC3(C1(C(CC(C3C2)CO)O)O)C)C	254.36	unknown	https://doi.org/10.1002/HLCA.201000151
CID 3080622	3080622	Click to see CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O	222.37	unknown	https://doi.org/10.1016/0031-9422(88)80105-5
Patchouli alcohol	10955174	Click to see CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O	222.37	unknown	https://doi.org/10.1248/CPB.37.345 https://doi.org/10.1016/0003-9861(87)90425-5
Patchoulialcohol	521903	Click to see CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O	222.37	unknown	https://doi.org/10.1248/CPB.37.345
Widdrol	94334	Click to see CC1(CCCC2(C1=CCC(CC2)(C)O)C)C	222.37	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1R,2R,4R,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol	25202439	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
(1R,2R,4S,5R)-6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol	45109775	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,3R,5R,6R,7S,8S)-3-hydroxy-2,2,6,8-tetramethyl-5-tricyclo[5.3.1.03,8]undecanyl]oxy]oxane-3,4,5-triol	53496126	Click to see CC1C2CC3CCC2(C(C3(C)C)(CC1OC4C(C(C(C(O4)CO)O)O)O)O)C	400.50	unknown	https://doi.org/10.1080/10286020.2011.577424
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyl-4-tricyclo[5.3.1.03,8]undecanyl]methoxy]oxane-3,4,5-triol	53496127	Click to see CC1(C2CCC3(C1(CCC(C3C2)COC4C(C(C(C(O4)CO)O)O)O)O)C)C	400.50	unknown	https://doi.org/10.1080/10286020.2011.577424
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol	9549179	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
(2R,4S,6S)-2-(hydroxymethyl)-6-[[(2R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol	93971	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
(3S,4R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol	16218587	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
(3S,4R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol	24802445	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
1-O-alpha-D-Galactopyranosyl-L-myo-inositol	44629828	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol	3749604	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
2-(Hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol	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://doi.org/10.1021/JF304466T
4-O-beta-D-galactopyranosyl-D-glucopyranose	69301022	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
6-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol	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://doi.org/10.1021/JF304466T
6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol	107148	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
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	via CMAUP database
6-O-alpha-D-glucopyranosyl-beta-D-fructofuranose	10125936	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
6-O-beta-D-Galactopyranosyl-D-galactose	11458	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	via CMAUP database
alpha-Cellobiose	441014	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
alpha-Lactose	84571	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
alpha-Maltose	439341	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
beta-D-Fructofuranosyl alpha-D-glucopyranoside	91692850	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	via CMAUP database
beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-	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://doi.org/10.1021/JF304466T
beta-Lactose	6134	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
beta-Maltose	6255	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
Brachiose	439193	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/10.1021/JF304466T
Cellobiose	10712	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
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	via CMAUP database
D-Maltose	10991489	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
D-myo-Inositol, 3-O-alpha-D-galactopyranosyl-	10914822	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
Gal(a1-6)Hex	46905267	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	via CMAUP database
Galactinol	11727586	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
Glc(?1-4)a-Glc	45109807	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
Glc(a1-1a)L-Glc	7567208	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	via CMAUP database
Isogalactinol	439451	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
L-Glc(a1-4)a-Ido	46936190	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
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/10.1021/JF304466T
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	via CMAUP database
Methyl beta-D-galactopyranoside	2108	Click to see COC1C(C(C(C(O1)CO)O)O)O	194.18	unknown	via CMAUP database
Methyl beta-D-galactopyranoside	94214	Click to see COC1C(C(C(C(O1)CO)O)O)O	194.18	unknown	https://doi.org/10.1021/JF304466T
Palatinose	439559	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O	342.30	unknown	https://doi.org/10.1021/JF304466T
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	via CMAUP database
Sucrose NF	46782954	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	via CMAUP database
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	via CMAUP database
Trehalose dihydrate	181978	Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O.O.O	378.33	unknown	via CMAUP database
Trehalose, dihydrate (Salt/Mix)	91696341	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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Thioglycosides
(3R,4R,6S)-2-(hydroxymethyl)-6-isopropylsulfanyl-tetrahydropyran-3,4,5-triol	16217509	Click to see CC(C)SC1C(C(C(C(O1)CO)O)O)O	238.30	unknown	https://doi.org/10.1021/JF304466T
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one	92092	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	via CMAUP database
D-Lyxopyranosylamine	55285017	Click to see C1C(C(C(C(O1)N)O)O)O	149.15	unknown	https://doi.org/10.1021/JF304466T
D-Tagatose	439312	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	via CMAUP database
Glyceraldehyde	751	Click to see C(C(C=O)O)O	90.08	unknown	https://doi.org/10.1021/JF304466T
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	102288	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	94780	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal	3034656	Click to see CC(C(C(C(C=O)O)O)O)O	164.16	unknown	https://doi.org/10.1021/JF304466T
6-Deoxyglucose	93579	Click to see CC(C(C(C(C=O)O)O)O)O	164.16	unknown	https://doi.org/10.1021/JF304466T
aldehydo-D-talose	99459	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
D-Allose	439507	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
D-Altrose	441032	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
D-Quinovose	439746	Click to see CC1C(C(C(C(O1)O)O)O)O	164.16	unknown	via CMAUP database
D-Talose	441035	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	via CMAUP database
D(+)-Glucose	107526	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF304466T
L-(-)-Fucose	220001	Click to see CC(C(C(C(C=O)O)O)O)O	164.16	unknown	via CMAUP database
L-Fucose	17106	Click to see CC1C(C(C(C(O1)O)O)O)O	164.16	unknown	via CMAUP database
L-Galactose	24749	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Gluconolactones
D-Gluconic acid, delta-lactone	736	Click to see C(C1C(C(C(C(=O)O1)O)O)O)O	178.14	unknown	https://doi.org/10.1021/JF304466T
Gluconolactone	7027	Click to see C(C1C(C(C(C(=O)O1)O)O)O)O	178.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal	65550	Click to see C(C(C(C(C=O)O)O)O)O	150.13	unknown	https://doi.org/10.1021/JF304466T
D-Lyxose	439240	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	via CMAUP database
D-Ribose	10975657	Click to see C1C(C(C(C(O1)O)O)O)O	150.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
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://doi.org/10.1021/JF304466T
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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
(2S)-2,3-dihydroxypropanoic acid	6326776	Click to see C(C(C(=O)O)O)O	106.08	unknown	via CMAUP database
2-Keto-L-gulonic acid	102424	Click to see C(C(C(C(C(=O)C(=O)O)O)O)O)O	194.14	unknown	https://doi.org/10.1021/JF304466T
2,3-Dihydroxybutanedioate;hydron	21583978	Click to see [H+].[H+].C(C(C(=O)[O-])O)(C(=O)[O-])O	150.09	unknown	via CMAUP database
d-Tartaric acid	439655	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	via CMAUP database
DL-Tartaric acid	875	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	https://doi.org/10.1021/JF304466T
Glucoheptonic acid	25588	Click to see C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O	226.18	unknown	https://doi.org/10.1021/JF304466T
Gluconic Acid	10690	Click to see C(C(C(C(C(C(=O)O)O)O)O)O)O	196.16	unknown	via CMAUP database
Glyceric acid	752	Click to see C(C(C(=O)O)O)O	106.08	unknown	https://doi.org/10.1021/JF304466T
L-Tartaric acid	444305	Click to see C(C(C(=O)O)O)(C(=O)O)O	150.09	unknown	via CMAUP database
> 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	via CMAUP database
D-Galacturonic Acid	439215	Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O	194.14	unknown	via CMAUP database
Galactaric acid	3037582	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	via CMAUP database
Glucaric acid	33037	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	https://doi.org/10.1021/JF304466T
L-mannaric acid	11988274	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	via CMAUP database
Tetrahydroxyadipic acid	607	Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O	210.14	unknown	https://doi.org/10.1021/JF304466T
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
D-Arabinitol	94154	Click to see C(C(C(C(CO)O)O)O)O	152.15	unknown	via CMAUP database
D-Threitol	169019	Click to see C(C(C(CO)O)O)O	122.12	unknown	https://doi.org/10.1021/JF304466T
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	via CMAUP database
Hexitol	453	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
L-Mannitol	136460	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
Mannitol	6251	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
Pentitol	827	Click to see C(C(C(C(CO)O)O)O)O	152.15	unknown	https://doi.org/10.1021/JF304466T
Sorbitol	5780	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	https://doi.org/10.1021/JF304466T
Xylitol	6912	Click to see C(C(C(C(CO)O)O)O)O	152.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural	237332	Click to see C1=C(OC(=C1)C=O)CO	126.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Beta-hydroxy aldehydes
2-Amino-3,4,6-trihydroxyhexanal	3572008	Click to see C(CO)C(C(C(C=O)N)O)O	163.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Alpha-branched alpha,beta-unsaturated ketones
3-Methyl-3-buten-2-one	13143	Click to see CC(=C)C(=O)C	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
Dhelwangin	54695756	Click to see CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O	224.25	unknown	via CMAUP database
Perilla ketone	68381	Click to see CC(C)CCC(=O)C1=COC=C1	166.22	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone	5371301	Click to see CC(=C)C=CC1(C(=O)CCCC1(C)C)C	206.32	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
3-Methyl-2-butanone	11251	Click to see CC(C)C(=O)C	86.13	unknown	via CMAUP database
5-Methyl-2-hexanone	8034	Click to see CC(C)CCC(=O)C	114.19	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Alpha-hydroxy ketones
Hydroxyacetone	8299	Click to see CC(=O)CO	74.08	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Flopropione	3362	Click to see CCC(=O)C1=C(C=C(C=C1O)O)O	182.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Azoles / Imidazoles / Substituted imidazoles / Aminoimidazoles
5-Aminoimidazole-4-carboxamide	9679	Click to see C1=NC(=C(N1)C(=O)N)N	126.12	unknown	https://doi.org/10.1021/JF304466T
> Organoheterocyclic compounds / Azolines / Imidazolines
1-Methylhydantoin	69217	Click to see CN1CC(=O)NC1=O	114.10	unknown	https://doi.org/10.1021/JF304466T
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
Cassiachromone	5319500	Click to see CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)C	232.23	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Ethylfuran	18554	Click to see CCC1=CC=CO1	96.13	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Acefylline	69550	Click to see CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O	238.20	unknown	https://doi.org/10.1016/J.ACTATROPICA.2013.04.011
> Organoheterocyclic compounds / Pyridines and derivatives / Bipyridines and oligopyridines
Inamrinone lactate	3035194	Click to see CC(C(=O)O)O.C1=CN=CC=C1C2=CNC(=O)C(=C2)N	277.28	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://doi.org/10.1021/JF304466T
> Organoheterocyclic compounds / Pyridines and derivatives / Methylpyridines
(8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine	5317082	Click to see CC1CCC(CC2=C1C=CC(=N2)C)C(=C)C	215.33	unknown	via CMAUP database
1,5,12,12-Tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene	5320426	Click to see CC1=NC2=C(C=C1)C3(CCC(C2)C3(C)C)C	215.33	unknown	via CMAUP database
> Organosulfur compounds / Thioethers / Aryl thioethers / Diarylthioethers
Diphenyl sulfide	8766	Click to see C1=CC=C(C=C1)SC2=CC=CC=C2	186.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamaldehydes
Cinnamaldehyde	637511	Click to see C1=CC=C(C=C1)C=CC=O	132.16	unknown	via CMAUP database
cis-Cinnamaldehyde	6428995	Click to see C1=CC=C(C=C1)C=CC=O	132.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
cis-Cinnamate	6857483	Click to see C1=CC=C(C=C1)C=CC(=O)[O-]	147.15	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	118701722	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O	622.60	unknown	via CMAUP database
[(4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	102333427	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)OC)CO)O)O)O	636.60	unknown	via CMAUP database
[(6R,7R,8S)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	6443664	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O	622.60	unknown	via CMAUP database
3''-O-methylcrenatoside	10326741	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)OC)CO)O)O)O	636.60	unknown	via CMAUP database
Crenatoside	44593361	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O	622.60	unknown	via CMAUP database
Isoacteoside	6476333	Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O	624.60	unknown	via CMAUP database
Isocrenatoside	44559534	Click to see CC1C(C(C(C(O1)OC2C(C(OC3C2OC(CO3)C4=CC(=C(C=C4)O)O)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O	622.60	unknown	via CMAUP database
Oraposide	6441894	Click to see CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O	622.60	unknown	via CMAUP database
Verbascoside	5281800	Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O	624.60	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	https://doi.org/10.1248/CPB.29.254
Apigenin-7-olate	25200950	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-])O	269.23	unknown	via CMAUP database
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one	5378823	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O	314.29	unknown	via CMAUP database
Dillenetin	5487855	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC	330.29	unknown	via CMAUP database
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
Ombuin	5320287	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O	330.29	unknown	https://doi.org/10.1055/S-2006-957485 https://doi.org/10.1021/JF990160Y https://doi.org/10.1248/CPB.29.254
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	via CMAUP database
Quercetin 7,3',4'-trimethyl ether	5748558	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OC	344.30	unknown	via CMAUP database
Rhamnetin	5281691	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O	316.26	unknown	https://doi.org/10.1248/CPB.29.254
Rhamnocitrin	5320946	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one	44259215	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	via CMAUP database
Hyperoside	5281643	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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one	457806	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
(2S)-7-[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	42608011	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavanone	17751030	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2S,4R,5S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	24211957	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	91820153	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	45358138	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Apigetrin	5280704	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	https://doi.org/10.1248/CPB.29.254
Diosmetin 7-O-beta-D-glucopyranoside	11016019	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	462.40	unknown	via CMAUP database
Echinacin	6439941	Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O	578.50	unknown	via CMAUP database
Hesperetin 7-neohesperidoside	73395	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Neohesperidin	232990	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Neohesperidin	442439	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Thalictiin	5464455	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
Tilianin	5321954	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O	446.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Acacetin	5280442	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
(2R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one	14057197	Click to see COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O	300.30	unknown	via CMAUP database
(S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)chroman-4-one	14057196	Click to see COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O	300.30	unknown	https://doi.org/10.1002/HLCA.201000151
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one	321347	Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)OC)O	316.30	unknown	https://doi.org/10.1002/HLCA.201000151 https://doi.org/10.1021/JF990160Y
5-Hydroxy-3',4',7-trimethoxyflavone	5272653	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC	328.30	unknown	via CMAUP database
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one	321346	Click to see COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O	300.30	unknown	https://doi.org/10.1002/HLCA.201000151
7,3',4'-Tri-O-methyleriodictyol	14078482	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC	330.30	unknown	https://doi.org/10.1021/JF990160Y https://doi.org/10.1002/HLCA.201000151
Eriodictyol 7,3'-dimethyl ether	14235076	Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)OC)O	316.30	unknown	https://doi.org/10.1002/HLCA.201000151 https://doi.org/10.1021/JF990160Y
Eriodictyol 7,3',4'-trimethyl ether	14078481	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC	330.30	unknown	https://doi.org/10.1021/JF990160Y https://doi.org/10.1002/HLCA.201000151
Genkwanin	5281617	Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O	284.26	unknown	via CMAUP database
Jaranol	5318869	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O	314.29	unknown	https://doi.org/10.1021/JF990160Y
Kaempferol 3,7,4'-trimethyl ether	5468749	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC	328.30	unknown	https://doi.org/10.1021/JF990160Y
Pachypodol	5281677	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O	344.30	unknown	https://doi.org/10.1248/CPB.29.254 https://doi.org/10.1021/JF990160Y https://doi.org/10.1002/HLCA.201000151 https://doi.org/10.1016/S0944-7113(99)80041-5
Retusin	5352005	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC	358.30	unknown	https://doi.org/10.1016/S0944-7113(99)80041-5
Rhamnetin-3-olate	54758607	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)[O-])C3=CC(=C(C=C3)O)O)O	315.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-3-enes / Isoflav-3-enones
Pachyrrhizin	101277	Click to see COC1=CC2=C(C=C1C3=CC4=C(C=C5C(=C4)C=CO5)OC3=O)OCO2	336.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
Irisolidone	5281781	Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O	314.29	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / Retrochalcones
3-[4-Hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)-2-propen-1-one	3923	Click to see CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O	338.40	unknown	https://doi.org/10.1055/S-2006-957485
Licochalcone a	5318998	Click to see CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O	338.40	unknown	https://doi.org/10.1055/S-2006-957485
> Phenylpropanoids and polyketides / Macrolides and analogues
3-[[(12E,18Z)-15-[10-(diaminomethylideneamino)decan-2-yl]-5,7,9,11,23,25,27,31,33,34,35-undecahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-3-yl]oxy]-3-oxopropanoic acid	5320654	Click to see CC1CCC=C(C(=O)OC(C(C=CC(C(C(CC(CC(CC(CC2CC(C(C(O2)(CC(C(CCC(C(C(CC1O)O)C)O)C)O)O)O)O)OC(=O)CC(=O)O)O)O)O)C)O)C)C(C)CCCCCCCCN=C(N)N)C	1090.40	unknown	via CMAUP database

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Pogostemon cablin

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