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Arabidopsis thaliana

Table of Contents

Details
Ethnobotanical Use
General Uses
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Gallery
Contributors
Collections

Details Top

Internal ID UUID644009f957a48221390318
Scientific name Arabidopsis thaliana
Authority (L.) Heynh.
First published in Fl. Sachsen : 538 (1842)

Ethnobotanical Use Top

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General Uses Top

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Scientific and model organism use:
Arabidopsis thaliana is the primary model species for plant genetics and molecular biology. Its fully sequenced genome (≈135 Mb) and small, self‑fertilizing life cycle (~6 weeks) enable rapid generation of homozygous lines. The species is routinely used for functional genomics, gene‑editing (CRISPR/Cas9), transgenic studies, and high‑throughput phenotyping. Standard laboratory protocols, such as floral dip transformation and Agrobacterium‑mediated gene transfer, are optimized for A. thaliana. The Arabidopsis Information Resource (TAIR) provides curated genomic, transcriptomic, and phenotypic data, serving as a reference database for plant biology research worldwide.

Properties relevant to use:
The plant’s compact genome, high transformation efficiency, and short generation time make it ideal for genetic screens and molecular studies. Its small stature (≈15–20 cm) and low biomass allow large‑scale cultivation in growth chambers or greenhouses with minimal space. A. thaliana’s genome contains a high proportion of single‑copy genes, facilitating gene knockout and overexpression experiments. The species’ tolerance to a range of growth conditions (temperature, light, soil types) supports diverse experimental designs.

Standards and regulation:
Use of A. thaliana in research is governed by institutional biosafety committees and national regulations for genetically modified organisms (GMOs). The species is listed in the OECD guidelines for plant genetic resources, and protocols for seed handling, transformation, and containment are standardized by the International Union for the Protection of New Varieties of Plants (UPOV) and the European Union’s Directive 2001/18/EC. Seed stocks are distributed through the Arabidopsis Biological Resource Center (ABRC) under Material Transfer Agreements that comply with the Nagoya Protocol on access and benefit sharing.

Sustainability and sourcing:
Cultivation of A. thaliana in controlled environments reduces land use and eliminates the need for pesticides or fertilizers, contributing to low environmental impact. Seed production is centralized in research institutions, ensuring traceability and compliance with biodiversity regulations. The species’ rapid life cycle allows multiple generations per year, enabling efficient use of resources and minimizing waste.

Synonyms Top

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
Arabis arcuata Dulac Fl. Hautes-Pyrénées : 200 (1867)

Common names Top

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Language Common/alternative name
English mouse-ear cress
English mouseear cress
English thale cress
Spanish phryne gesneri
Spanish oruga
Spanish conringia thaliana
Spanish sisymbrium thalianum
Arabic رشاد أذن الفأر
Belarusian разухавідка Таля
Catalan sisymbrium thalianum
Catalan arabette de thalius
Catalan arabette des dames
Catalan fausse arabette
Czech stenophragma thalianum
Czech sisymbrium thalianum
Czech huseníček rolní
Czech huseníček thalův
Welsh berwr y fagwyr
Danish almindelig gåsemad
German thurnkohl
German schottenkresse
German gänserauke
German fausse arabette
German arabette des dames
German arabette de thalius
German mausohrkresse
German acker-schmalwand
German ackerschmalwand
German schotenkresse
Estonian harilik müürlook
Persian آرابیدوپسیس تالیانا
Persian ارابیدوپسیس تالیانا
Finnish lituruoho
Finnish hentolituruoho
French fausse arabette
French arabette rameuse
French arabette des dames
French arabette de thalius
Irish tailís
Hebrew תודרנית לבנה
Hebrew תודרנית
Hebrew ארבידופסיס
Hebrew אראבידופסיס
Croatian talijin uročnjak
Upper Sorbian rólna skopička
Hungarian lúdfű
Armenian Արաբիդոպսիս ֆալիանա
Igbo mouse-ear cress
Igbo thale cress
Icelandic vorskriðnablóm
Italian arabetta comune
Japanese シロイヌナズナ
Japanese アラビドプシス
Korean 애기장대
la pilosella siliquosa minor
Lithuanian baltažiedis vairenis
Lithuanian fausse arabette
Lithuanian arabette des dames
Lithuanian arabette de thalius
Latvian tāla sīkplikstiņš
Malayalam അറബിഡോപ്സിസ് താലിയാന
Norwegian Bokmål vårskrinneblom
Dutch zandraket
Norwegian Nynorsk a. thaliana
Norwegian Nynorsk vårskrinneblom
Polish rzodkiewnik pospolity
Russian Арабидопсис
Russian резуховидка Таля
se guolbbadilla
Slovak stenophragma thalianum
Slovak arábkovka thalova
Slovak sisymbrium thalianum
Slovenian navadni repnjakovec
smn heeđâlmsyeini
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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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
  • Africa
    • 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
  • Asia-temperate
    • 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
    • Indian Subcontinent
      • East Himalaya
      • Nepal
      • Pakistan
      • West Himalaya
  • Australasia
    • Australia
      • New South Wales
      • Tasmania
    • New Zealand
      • New Zealand North
      • New Zealand South
  • Europe
    • 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
    • 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
    • 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
PFAF Arabidopsis thaliana

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
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
Risk Evaluation and Molecular Characterisation of AtNPR1 Transgenic Citrus Lines Tolerant to Citrus Greening Disease. Glusberger PR, Merritt B, Liu C, Wang Y, Zale J, Wu H, Canton M, Braverman M, Triplett EW, Mou Z Plant Biotechnol J 01-Mar-2026
PMCID:PMC12946480
doi:10.1111/pbi.70394
PMID:41081439
Antagonistic regulation of nitrogen and drought signaling mediated by NIN-like protein 7 transcription factor in Arabidopsis thaliana. Johnson NR, Moyano TC, Araus V, Osorio C, Huang J, Frangos S, Herrera-Vásquez A, Blanco-Herrera F, Coruzzi GM, Vidal EA, Álvarez JM Proc Natl Acad Sci U S A 06-Jan-2026
PMCID:PMC12773779
doi:10.1073/pnas.2509904122
PMID:41481473
Impact of alternative splicing on Arabidopsis proteome Reyes AV, Zhang C, Karunadasa SS, Shrestha R, Grismer TS, Byun D, Xu SL bioRxiv 19-Sep-2025
PMCID:PMC10942332
doi:10.1101/2024.02.29.582853
PMID:38496481
SKOOTS: Skeleton-oriented object segmentation for mitochondria Buswinka CJ, Osgood RT, Nitta H, Indzhykulian AA bioRxiv 13-Aug-2025
PMCID:PMC10197543
doi:10.1101/2023.05.05.539611
PMID:37214838
FGF and BMP pathway genes are expressed in segmentally iterated domains during segmentation of germ layers in a tardigrade Heikes KL, Papell LD, Gavino-Lopez N, Goldstein B bioRxiv 12-Jul-2025
PMCID:PMC10862696
doi:10.1101/2024.01.29.577774
PMID:38352320
Ca(2+) waves and ethylene/JA crosstalk orchestrate wound responses in Arabidopsis roots. Ma X, Hasan MS, Anjam MS, Mahmud S, Bhattacharyya S, Vothknecht UC, Mendy B, Grundler FMW, Marhavý P EMBO Rep 01-Jun-2025
PMCID:PMC12187931
doi:10.1038/s44319-025-00471-z
PMID:40389757
Unlocking prophage potential: In silico and experimental analysis of a novel Mycobacterium fortuitum LysinB containing a peptidoglycan-binding domain Das R, Nadar K, Arora R, Bajpai U bioRxiv 04-Apr-2025
PMCID:PMC10888907
doi:10.1101/2024.02.15.580446
PMID:38405724
Mechanistic Basis for Enhanced Strigolactone Sensitivity in KAI2 Triple Mutant Sobecks BL, Chen J, Dean TJ, Shukla D bioRxiv 18-Mar-2025
PMCID:PMC9882355
doi:10.1101/2023.01.18.524622
PMID:36712135
Predicting gene expression responses to environment in Arabidopsis thaliana using natural variation in DNA sequence Takou M, Bellis ES, Lasky JR bioRxiv 04-Mar-2025
PMCID:PMC11071634
doi:10.1101/2024.04.25.591174
PMID:38712066
TgLaforin, a glucan phosphatase, reveals the dynamic role of storage polysaccharides in Toxoplasma gondii tachyzoites and bradyzoites Murphy RD, Troublefield CA, Miracle JS, Young LE, Tripathi A, Brizzee CO, Dhara A, Patwardhan A, Sun RC, Kooi CW, Gentry MS, Sinai AP bioRxiv 08-Nov-2024
PMCID:PMC10557770
doi:10.1101/2023.09.29.560185
PMID:37808860
Overcoming the “feast or famine” effect: improved interaction testing in genome-wide association studies Zhou H, McPeek MS bioRxiv 26-Oct-2024
PMCID:PMC10888770
doi:10.1101/2024.02.13.580168
PMID:38405994
Principles of Computation by Competitive Protein Dimerization Networks Parres-Gold J, Levine M, Emert B, Stuart A, Elowitz MB bioRxiv 15-Sep-2024
PMCID:PMC10634983
doi:10.1101/2023.10.30.564854
PMID:37961250
TMEM16 and OSCA/TMEM63 proteins share a conserved potential to permeate ions and phospholipids Lowry AJ, Liang P, Song M, Serena Wan YC, Pei ZM, Yang H, Zhang Y bioRxiv 03-Sep-2024
PMCID:PMC10871192
doi:10.1101/2024.02.04.578431
PMID:38370744
Progressive heterogeneity of enlarged and irregularly shaped apicoplasts in P. falciparum persister blood stages after drug treatment Micchelli CE, Percopo C, Traver M, Brzostowski J, Amin SN, Prigge ST, Sá JM, Wellems TE bioRxiv 29-Aug-2024
PMCID:PMC10896342
doi:10.1101/2024.01.03.574077
PMID:38410435
Disordered proteins interact with the chemical environment to tune their protective function during drying KC S, Nguyen KH, Nicholson V, Walgren A, Trent T, Gollub E, Ramero S, Holehouse AS, Sukenik S, Boothby TC bioRxiv 01-Aug-2024
PMCID:PMC10925285
doi:10.1101/2024.02.28.582506
PMID:38464187

Phytochemical Profile Top

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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 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 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 204.22 unknown https://doi.org/10.1111/J.1365-313X.2004.02225.X
> Benzenoids / Benzene and substituted derivatives
(Z)-Phenylacetaldehyde oxime 5939523 Click to see 135.16 unknown https://doi.org/10.1074/JBC.275.19.14659
Phenylacetaldoxime 99748 Click to see 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 137.14 unknown via CMAUP database
Anthranilic Acid 227 Click to see 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 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
2-Methylbenzoic acid 8373 Click to see 136.15 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Benzoic Acid 243 Click to see 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/
Phthalic Acid 1017 Click to see 166.13 unknown https://doi.org/10.1111/TPJ.14311
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
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/
Protocatechuic Acid 72 Click to see 154.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic Acid 10742 Click to see 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 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
2-(Cyanomethyl)-3-methoxybenzoic acid 50937014 Click to see 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 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
p-Hydroxybenzoylcholine 151252 Click to see 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 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 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 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-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/
5-Hydroxyconiferyl alcohol 443704 Click to see 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 170.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Eicosane 8222 Click to see 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 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 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 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 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 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 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
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid 5283147 Click to see 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 965.20 unknown https://doi.org/10.1021/NP0495938
12-Oxo-phytodienoic acid 5280411 Click to see 292.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
12-Oxophytodienoic acid 10334541 Click to see 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 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
Methyl 9-hexadecenoate 14258 Click to see 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
(+-)-Citramalic acid 1081 Click to see 148.11 unknown https://doi.org/10.1111/TPJ.14311
3-Hydroxy-3-methylglutaric acid 1662 Click to see 162.14 unknown https://doi.org/10.1111/TPJ.14311
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
3-Hydroxyisovaleric acid 69362 Click to see 118.13 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
https://doi.org/10.1111/TPJ.14311
4-Hydroxybutyric Acid 10413 Click to see 104.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Citramalic acid, (-)- 439766 Click to see 148.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(s)-10,16-Dihydroxyhexadecanoic acid 10989850 Click to see 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 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 298.50 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
18-Hydroxyoctadecanoic acid 5282915 Click to see 300.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
18-Hydroxyoleic acid 5312773 Click to see 298.50 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
20-Hydroxyicosanoic acid 5282919 Click to see 328.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
6,9-Octadecadienedioic acid, (6Z,9Z)- 25156710 Click to see 310.40 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
Eicosanoic Acid 10467 Click to see 312.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
https://doi.org/10.1111/TPJ.14311
Hexadecanedioic acid 10459 Click to see 286.41 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
Icosa-11,14-dienoic acid 3208 Click to see 308.50 unknown https://doi.org/10.1111/TPJ.14311
Myristic Acid 11005 Click to see 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-ene-1,18-dioic acid 9543675 Click to see 312.40 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
Oleic Acid 445639 Click to see 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 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 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
(8E)-9-((1E,3Z,6Z)-1,3,6-Nonatrien-1-yloxy)-8-nonenoic acid 6441679 Click to see 292.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
2,4-Dimethylpimelic acid 543862 Click to see 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 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
Hexanoic Acid 8892 Click to see 116.16 unknown https://doi.org/10.1111/TPJ.14311
Lauric Acid 3893 Click to see 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 208.23 unknown https://doi.org/10.1007/S00425-003-1184-3
4-(Methylthio)-2-oxobutyric acid 473 Click to see 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 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 384.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
25-Hydroxypentacosanoic acid 14325176 Click to see 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 396.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.09.011
Lignoceric 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 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 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 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 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 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 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
Coenzyme A, S-((2E)-3-(3,4-dihydroxyphenyl)-2-propenoate) 11966126 Click to see 929.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
Feruloyl Coenzyme A 44229079 Click to see 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
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 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 973.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
sinapoyl-coenzyme A 11966120 Click to see 973.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC523881/
trans-Feruloyl-CoA 11966129 Click to see 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 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 282.50 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
(7S)-hexadecane-1,7,16-triol 163105830 Click to see 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 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 286.50 unknown https://doi.org/10.1111/J.1365-313X.2004.02258.X
Cetyl Alcohol 2682 Click to see 242.44 unknown https://doi.org/10.1111/TPJ.14311
Stearyl Alcohol 8221 Click to see 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 328.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
18-Hydroxylinoleic acid 87314906 Click to see 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 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 292.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives / Jasmonic acids
(-)-Methyl jasmonate 5281929 Click to see 224.30 unknown https://doi.org/10.1007/S00425-002-0888-0
(3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid 557758 Click to see 210.27 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2634376/
Jasmonic Acid 5281166 Click to see 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/
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols
2-Hydroxy-1-(hydroxymethyl)ethyl beta-D-glucopyranoside 443265 Click to see 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)-1,2-Di-O-Linolenoyl-3-O-Alpha-Galactopyranosyl-(1->6)-O-Beta-Galactopyranosyl Glycerol 57400365 Click to see 937.20 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
[(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 965.20 unknown https://doi.org/10.1021/NP0495938
> 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 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-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate 25200977 Click to see 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
Panaxcerol C 73805565 Click to see 775.10 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
(2S)-1,2-Di-O-((9Z,12Z,15Z)-Octadeca-9,12,15-Trienoyl)-3-O-Beta-D-Galactopyranosyl Glycerol 21582567 Click to see 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/
Glyceryl 1-phosphate 754 Click to see 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
((2R)-3-hydroxy-2-oxoniopropyl) 2-(trimethylazaniumyl)ethyl phosphate 439285 Click to see 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 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 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 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,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 443457 Click to see 332.40 unknown https://doi.org/10.1093/PCP/PCT160
(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 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 330.40 unknown https://doi.org/10.1007/BF02341024
Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)- 622971 Click to see 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 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 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 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 378.40 unknown https://doi.org/10.1007/BF02341024
Gibberellin A17 5460657 Click to see 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 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 346.40 unknown https://doi.org/10.1007/BF02341024
Gibberellin A36 443455 Click to see 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 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 320.50 unknown https://doi.org/10.2307/3871415
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/
Kaurenol 443465 Click to see 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 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 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
(3S,6E,8R)-3,7,11-trimethyldodeca-1,6,10-triene-3,8-diol 162938416 Click to see 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
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
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
Sesquichamene 97829 Click to see 204.35 unknown https://doi.org/10.1111/J.1365-313X.2005.02417.X
Thujopsene 442402 Click to see 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 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 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 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 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 568.90 unknown https://doi.org/10.1016/J.CHROMA.2006.04.033
Antheraxanthin A 5281223 Click to see 584.90 unknown https://doi.org/10.1034/J.1399-3054.2000.108001019.X
Lutein A 5281243 Click to see 568.90 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Violaxanthin 448438 Click to see 600.90 unknown https://doi.org/10.1016/J.CHROMA.2006.04.033
Zeaxanthin 5280899 Click to see 568.90 unknown https://doi.org/10.1016/J.CHROMA.2006.04.033
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3beta,13alpha,14beta)-13-Methyl-26-norurs-7-en-3-ol 111220 Click to see 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 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 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 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 424.70 unknown https://doi.org/10.1021/OL800389Q
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 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
alpha-Amyrenol 225688 Click to see 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
Alpha-Amyrin 73170 Click to see 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-Amyrenol 225689 Click to see 426.70 unknown https://doi.org/10.1021/OL800389Q
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
Butyrospermol 12302182 Click to see 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 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
Pseudotaraxasterol 604983 Click to see 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
Taraxasterin 610148 Click to see 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
Taraxasterol 115250 Click to see 426.70 unknown https://doi.org/10.1016/S0040-4039(00)01347-2
Tirucalla-7,24-dien-3beta-ol 12302184 Click to see 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
(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-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 90976117 Click to see 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 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 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 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 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 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 450.70 unknown https://doi.org/10.1016/S0031-9422(98)00065-X
17-(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 13039027 Click to see 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 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 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 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 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 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 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 434.70 unknown https://doi.org/10.1016/S0031-9422(98)00065-X
6-Deoxotyphasterol 16061346 Click to see 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
Cholest-5-en-3-ol 304 Click to see 386.70 unknown https://doi.org/10.1016/0031-9422(93)85095-9
Cholesterol 5997 Click to see 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
Coprostanol 221122 Click to see 388.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(24R)-5-Ergosten-3beta-ol 312822 Click to see 400.70 unknown https://doi.org/10.1021/OL800389Q
https://doi.org/10.1016/0031-9422(93)85095-9
(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 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 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 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
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 288.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Nandrolone 9904 Click to see 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 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 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
10-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo(c)indeno(5,4-e)oxepin-3-one 3239 Click to see 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
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-Epibrassinolide 443055 Click to see 480.70 unknown https://doi.org/10.1016/S0031-9422(97)00177-5
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 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 415.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol 222284 Click to see 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/
(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 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 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 412.70 unknown https://doi.org/10.1016/0031-9422(93)85095-9
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-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
Fucostanol 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
Fucosterol 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
Isofucosterol 5281326 Click to see 412.70 unknown https://doi.org/10.1016/0031-9422(93)85095-9
Sitostanol 241572 Click to see 416.70 unknown https://doi.org/10.1016/0031-9422(93)85095-9
Stigmast-5-en-3-ol 22012 Click to see 414.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
https://doi.org/10.1016/0031-9422(93)85095-9
Stigmasterol 5280794 Click to see 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 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/
2-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid 193 Click to see 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 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
5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide 200 Click to see 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)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol 6541376 Click to see 335.36 unknown https://doi.org/10.1074/JBC.M314195200
(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 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 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 267.24 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
2-(Hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol 5529 Click to see 351.36 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 283.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
6-(gamma,gamma-Dimethylallylamino)purine riboside 266767 Click to see 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 268.23 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
9-alpha-Ribofuranosyladenine 448378 Click to see 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
cis-Zeatin-o-glucoside riboside 73070439 Click to see 513.50 unknown https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
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
trans-Zeatin-O-glucoside riboside 11713250 Click to see 513.50 unknown https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
Xanthosine 64959 Click to see 284.23 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Zeatin riboside 6440982 Click to see 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 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 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 589.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC520969/
Gdp fucose 135402013 Click to see 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 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 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
(5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate 224 Click to see 347.22 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
[(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 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 427.29 unknown https://doi.org/10.1093/PCP/PCF183
Adenosine 5'-Phosphosulfate 10238 Click to see 427.29 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
https://doi.org/10.1093/PCP/PCF183
Adenosine Monophosphate 6083 Click to see 347.22 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
cis-Zeatin riboside monophosphate 23724752 Click to see 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 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 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
Cytidine, cyclic 2',3'-(hydrogen phosphate) 68934 Click to see 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 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 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 580.28 unknown https://doi.org/10.1007/S00425-004-1441-0
Udp-Glucose 8629 Click to see 566.30 unknown https://doi.org/10.1093/JXB/ERM209
UDP-Hexose 1166 Click to see 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 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 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 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 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 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
(+-)-Dihydroorotic acid 648 Click to see 158.11 unknown https://doi.org/10.1016/J.PLAPHY.2005.01.003
(2S,4R)-2-(1H-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid 94840642 Click to see 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 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/
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 129.11 unknown https://doi.org/10.1111/TPJ.14311
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Timonacic 9934 Click to see 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-ammoniopropanoate 7311724 Click to see 89.09 unknown via CMAUP database
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/
L-Alanine 5950 Click to see 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/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid amides
3-Amino-2-piperidone 5200225 Click to see 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 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 205.32 unknown https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-amino-10-(methylsulfanyl)decanoic acid 123131536 Click to see 233.37 unknown https://doi.org/10.1007/S00425-003-1184-3
2-Amino-5-(methylthio)pentanoic acid 11298145 Click to see 163.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
2,5-Diaminopentanoic Acid 389 Click to see 132.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
3-Acetyloxy-2-azaniumylpropanoate 189 Click to see 147.13 unknown https://doi.org/10.1046/J.1365-313X.2003.01658.X
Dehydroalanine 123991 Click to see 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 117.15 unknown https://doi.org/10.1111/TPJ.14311
Hexahomomethionine 25010766 Click to see 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 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 235.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Pipecolic Acid 849 Click to see 129.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
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 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
3-cyano-L-alanine 439742 Click to see 114.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Citrulline 9750 Click to see 175.19 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC160588/
gamma-Ureidonorvaline 6992098 Click to see 175.19 unknown via CMAUP database
L-Arginine 6322 Click to see 174.20 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
L-Glutamine 5961 Click to see 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 119.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
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
Methionine Sulfone 445282 Click to see 181.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
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
O-Acetyl-L-serine 99478 Click to see 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 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
(-)-Asparagine 6267 Click to see 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
(2S)-4-amino-2-ammonio-4-oxobutanoate 6992089 Click to see 132.12 unknown via CMAUP database
D-Asparagine 439600 Click to see 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
(+-)-Aspartic Acid 424 Click to see 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/
(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
D-Aspartic Acid 83887 Click to see 133.10 unknown https://doi.org/10.1111/J.1742-4658.2008.06279.X
L-Aspartic Acid 5960 Click to see 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
N-[4'-Hydroxy-(E)-cinnamoyl]-aspartic acid 74346578 Click to see 279.24 unknown https://doi.org/10.1016/S0031-9422(00)90798-2
N-carbamoylaspartic acid 93072 Click to see 176.13 unknown https://doi.org/10.1016/J.PLAPHY.2005.01.003
Ureidosuccinic acid 279 Click to see 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 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/
L-Glutamic Acid 33032 Click to see 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/
Saccharopine 160556 Click to see 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 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
(+-)-Methionine 876 Click to see 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/
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 191.25 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 / Phenylalanine and derivatives
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid 19423296 Click to see 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/PMC4081348/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
https://doi.org/10.1111/TPJ.14311
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
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
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/
trans-hydroxy-L-proline 6971053 Click to see 131.13 unknown via CMAUP database
> 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 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/
L-Serine 5951 Click to see 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/
L-Tyrosine 6057 Click to see 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 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 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
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/
gamma-Guanidinobutyric acid 500 Click to see 145.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
> 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 121.16 unknown https://doi.org/10.1111/J.1742-4658.2005.04567.X
DL-cysteine 594 Click to see 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 240.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
L-Cystathionine 439258 Click to see 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 326.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC157165/
4-Hydroxyphenylacetylglycine 440732 Click to see 209.20 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
N-Acetyltryptophan 2002 Click to see 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
N-Acetyl-L-Cysteine 12035 Click to see 163.20 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
N-Acetyl-L-ornithine 439232 Click to see 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-isoleucine 88079 Click to see 188.22 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Glycyl-L-phenylalanine 92953 Click to see 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/
> 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 202.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Asp-His 9856673 Click to see 270.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
FL zwitterion 7010521 Click to see 278.35 unknown via CMAUP database
gammaGluCys(IAN) 70678683 Click to see 404.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
Glu-Ala 6992506 Click to see 218.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
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/
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 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 262.37 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
L-Seryl-L-methionine 151087 Click to see 236.29 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Leu-phe 6992310 Click to see 278.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Phe-Val 7359122 Click to see 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/
Tyr-Ile 7019110 Click to see 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
2-Azaniumyl-5-((1-(Carboxymethylamino)-1-Oxo-3-Sulfanylpropan-2-Yl)Amino)-5-Oxopentanoate 745 Click to see 307.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
gammaGluCys(4MeOI3M)Gly 70678641 Click to see 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 116.07 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
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 116.07 unknown https://doi.org/10.1111/TPJ.14311
Maleic acid, disodium salt 6364608 Click to see 160.04 unknown via CMAUP database
Methylmalonic Acid 487 Click to see 118.09 unknown https://doi.org/10.1111/TPJ.14311
Oxalic Acid 971 Click to see 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 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 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 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 192.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
trans-Aconitic acid 444212 Click to see 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 90.08 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
Lactic Acid 612 Click to see 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
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-Malic acid 92824 Click to see 134.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
https://doi.org/10.1111/TPJ.14311
L-Malic Acid 222656 Click to see 134.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Malic Acid 525 Click to see 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 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 222.26 unknown https://doi.org/10.1007/S00425-003-1184-3
(2S)-2-hydroxy-2-(5-methylsulfanylpentyl)butanedioic acid 163067405 Click to see 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 188.26 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Galactonic acid 128869 Click to see 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 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 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 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 232.34 unknown https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-6-methylthiohexanoic acid 22266653 Click to see 176.24 unknown https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-7-methylthioheptanoic acid 22266655 Click to see 190.26 unknown https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-8-methylthiooctanoic acid 44237314 Click to see 204.29 unknown https://doi.org/10.1007/S00425-003-1184-3
2-Oxo-9-methylthiononanoic acid 44237170 Click to see 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
2-C-methyl-D-erythritol 4-phosphate 443198 Click to see 216.13 unknown https://doi.org/10.1007/S00425-002-0762-0
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
Monomethyl phosphate 13130 Click to see 112.02 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> 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 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 148.12 unknown https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
Putrescine 1045 Click to see 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 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 85.10 unknown https://doi.org/10.1105/TPC.13.12.2793
6-(Methylthio)hexanenitrile oxide 46173282 Click to see 159.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
Octadecanenitrile 12532 Click to see 265.50 unknown via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Oximes / Aldoximes
8-(Methylsulfanyl)octanal oxime 74388157 Click to see 189.32 unknown https://doi.org/10.1046/J.1365-313X.2003.01679.X
8-Methylthiooctanaldoxime 25010745 Click to see 189.32 unknown https://doi.org/10.1046/J.1365-313X.2003.01679.X
9-(Methylsulfanyl)nonanal oxime 74388159 Click to see 203.35 unknown https://doi.org/10.1046/J.1365-313X.2003.01679.X
9-Methylthiononanaldoxime 25010752 Click to see 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 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
N,N,N-trimethyl-2-(phosphonooxy)ethanaminium 1014 Click to see 184.15 unknown https://doi.org/10.1016/J.FEBSLET.2004.04.015
> Organic oxygen compounds / Organic oxoanionic compounds / Organic pyrophosphates
2-C-methyl-D-erythritol 2,4-cyclodiphosphate 126747 Click to see 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 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 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 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 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 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 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 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 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)-8-[(R)-methylsulfinyl]-N-sulfooxyoctanimidothioate 154497806 Click to see 479.60 unknown https://doi.org/10.1007/S00425-004-1295-5
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate 547456 Click to see 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 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 435.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
2-Propenyl glucosinolate 5486549 Click to see 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-Hydroxybutylglucosinolate 44237252 Click to see 391.40 unknown https://doi.org/10.1007/S00425-004-1295-5
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-Methoxy-3-indolylmethyl glucosinolate 9576738 Click to see 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 421.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
499-30-9 (Non-salt) 9548618 Click to see 423.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
7-Methylthioheptyl glucosinolate 46173876 Click to see 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 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/
But-3-enylglucosinolate 14390048 Click to see 373.40 unknown https://doi.org/10.1093/CHROMSCI/26.11.551
Glucoalyssin 9589398 Click to see 451.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Glucobrassicanapin 5485207 Click to see 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 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 373.40 unknown https://doi.org/10.1093/CHROMSCI/26.11.551
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/
Indolylmethylglucosinolate 6537198 Click to see 448.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
https://doi.org/10.1007/S004250050576
Neoglucobrassicin 656565 Click to see 478.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
> 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 383.40 unknown https://doi.org/10.1034/J.1399-3054.2003.00094.X
beta-D-psicofuranose 12306006 Click to see 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 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 365.38 unknown https://doi.org/10.1034/J.1399-3054.2003.00094.X
3-Carboxy-1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Hydroxymethyl-Tetrahydro-Furan-2-Yl)-Pyridinium 161234 Click to see 256.23 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
cis-ZEATIN-9-GLUCOSIDE (cZ9G) 53399083 Click to see 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 381.38 unknown https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
trans-Zeatin-7-glucoside 74413368 Click to see 381.38 unknown https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
Zeatin 7-glucoside 6450275 Click to see 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
(+)-Lactose 440995 Click to see 342.30 unknown https://doi.org/10.1111/TPJ.14311
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-[[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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
alpha-D-galactopyranosyl alpha-D-galactopyranoside 10925912 Click to see 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Benzyl beta-d-glucopyranoside 188977 Click to see 270.28 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Cellobiose 439178 Click to see 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 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
Hexopyranosyl hexopyranoside 1143 Click to see 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Maltose 439186 Click to see 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/
Melibiose 440658 Click to see 342.30 unknown https://doi.org/10.1111/TPJ.14311
Sucrose 5988 Click to see 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 372.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid 49859721 Click to see 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 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 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 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 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
Syringin 5316860 Click to see 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 369.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
1,5-Anhydroglucitol 64960 Click to see 164.16 unknown https://doi.org/10.1111/TPJ.14311
D-(-)-Fructose 5984 Click to see 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 180.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
D-Galactose 6036 Click to see 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 355.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC514118/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Gluconolactones
delta-Gluconolactone 7027 Click to see 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-D-galactose 6-phosphate 449526 Click to see 260.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Fructose 6-phosphate 69507 Click to see 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 276.14 unknown https://doi.org/10.1046/J.1365-313X.2003.01889.X
Alpha-D-Galactose-1-Phosphate 123912 Click to see 260.14 unknown https://doi.org/10.1046/J.1365-313X.2003.01889.X
alpha-D-glucose 1-phosphate 65533 Click to see 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 170.06 unknown https://doi.org/10.1074/JBC.M314195200
Triose phosphate 439168 Click to see 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 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 349.23 unknown https://doi.org/10.1046/J.1365-313X.2000.00883.X
1-Deoxy-D-xylulose 5-phosphate 443201 Click to see 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 349.23 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC111174/
3'-Cmp 66535 Click to see 323.20 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
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
N-(5-Phosphoribosyl)anthranilic acid 440289 Click to see 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 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 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-keto-D-Gluconic acid 3035456 Click to see 194.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4020108/
2,3-Dihydroxybutanedioic Acid 875 Click to see 150.09 unknown https://doi.org/10.1111/TPJ.14311
Gluconic Acid 10690 Click to see 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 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
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
Galacturonic Acid 84740 Click to see 194.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Glucaric Acid 33037 Click to see 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 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 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 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 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 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 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 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 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 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 425.32 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
L-Ascorbic Acid 54670067 Click to see 176.12 unknown https://doi.org/10.1046/J.1365-3040.2001.00686.X
> Organoheterocyclic compounds / Furofurans / Isosorbides
Ascorbigen 3081416 Click to see 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 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 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 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 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 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-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)- 15419 Click to see 219.24 unknown https://doi.org/10.1002/(SICI)1096-9888(199809)33:9<892::AID-JMS701>3.0.CO;2-N
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
Cis-Zeatin 688597 Click to see 219.24 unknown https://doi.org/10.1074/JBC.M314195200
Isopentenyladenine 92180 Click to see 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-Hydroxy-1H-indole-3-acetaldehyde 74688 Click to see 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 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
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 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/
Rapalexin A 16102148 Click to see 204.25 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.10.032
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
(4-methoxy-1H-indol-3-yl)methanamine 10931962 Click to see 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 287.21 unknown https://doi.org/10.1046/J.1365-313X.2000.00883.X
1-Methoxy-3-(aminomethyl)indole 11332792 Click to see 176.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
1H-Indol-3-Ylmethanamine 472107 Click to see 146.19 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole 14206111 Click to see 218.28 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
3-Ethyl-1-methoxyindole 68023567 Click to see 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/
Caulilexin C 11954881 Click to see 186.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1150420/
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 232.26 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2714930/
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
2-(2-Oxoindol-3-yl)acetic acid 11788737 Click to see 189.17 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877806/
Dl-Tryptophan 1148 Click to see 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/
Oxindole-3-acetic acid 3080590 Click to see 191.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877806/
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 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 219.24 unknown https://doi.org/10.1016/J.PHYTOCHEM.2007.10.032
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid 98285 Click to see 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 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)-Dihydro-3,4-dihydroxy-2(3H)-furanone 2724794 Click to see 118.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3030539/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Dehydroascorbate (bicyclic 835 Click to see 174.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2233643/
Dehydroascorbic Acid 440667 Click to see 174.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
Glucuronolactone 92283 Click to see 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 518.50 unknown via CMAUP database
> Organoheterocyclic compounds / Oxepanes
(E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one 14605580 Click to see 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 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 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 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-(2-pyridinyl)-2-buten-1-ol 140728338 Click to see 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 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 167.16 unknown https://doi.org/10.1007/S00425-002-0799-0
Pyridoxal 5'-phosphate 1051 Click to see 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 139.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5071901/
Isonicotinic Acid 5922 Click to see 123.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Nicotinic Acid 938 Click to see 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 620.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Methyl pheophorbide a 135407639 Click to see 606.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Porphyrins
Porphyrin 66868 Click to see 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 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 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 177.31 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
8-(Methylsulfinyl)octylamine 121232648 Click to see 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 163.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5121592/
Sulforaphane 5350 Click to see 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 584.60 unknown https://doi.org/10.1016/J.PHYTOCHEM.2014.10.003
Glycosmisic acid 4'-sulfate 121232655 Click to see 452.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037833/
Glycosmisic acid sulfate 121232656 Click to see 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 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 735.80 unknown https://doi.org/10.1111/J.1365-313X.2008.03576.X
Sinapoyl spermidine 129847081 Click to see 351.40 unknown https://doi.org/10.1016/S0031-9422(00)88735-X
Sinapoylapfelsaure 129650237 Click to see 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 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 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 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 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 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 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 625.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5033345/
cis-p-Coumaroylagmatine 5280691 Click to see 276.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Feruloylcholine 131751314 Click to see 280.34 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2492617/
Sinapic acid (S)-malate ester 5280548 Click to see 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 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-Coumaric acid 322 Click to see 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
5-Hydroxyferulic acid 446834 Click to see 210.18 unknown https://doi.org/10.2307/3869512
Caffeic Acid 689043 Click to see 180.16 unknown https://doi.org/10.2307/3869512
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
Ferulic Acid 445858 Click to see 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 164.16 unknown https://doi.org/10.2307/3869512
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Sinapic acid 10743 Click to see 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
Sinapinic acid 1549091 Click to see 224.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4081348/
> Phenylpropanoids and polyketides / Cinnamyl alcohols
1,2-Benzenediol, 4-((1E)-3-hydroxy-1-propenyl)- 361171 Click to see 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 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 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
8-Methoxypsoralen 4114 Click to see 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 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 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 578.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(2R,3S,4S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol 440833 Click to see 306.27 unknown https://doi.org/10.1039/B105576N
(2S,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol 154496889 Click to see 306.27 unknown https://doi.org/10.1046/J.1365-313X.2003.01834.X
l-Epicatechol 255538 Click to see 290.27 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
Leucocyanidin 71629 Click to see 306.27 unknown https://doi.org/10.1039/B105576N
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
Naringenin 439246 Click to see 272.25 unknown https://doi.org/10.1046/J.1365-313X.2003.01834.X
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 11449086 Click to see 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 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 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 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 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 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 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-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxychromen-4-One 5378597 Click to see 464.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside 5353915 Click to see 448.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815869/
https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
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 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 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 740.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2006.08.008
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one 12305419 Click to see 578.50 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 756.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Kaempferitrin 5486199 Click to see 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
Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside 14353457 Click to see 740.70 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Kaempferol 3-galactoside-7-rhamnoside 139031079 Click to see 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 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 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 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;Lespenephryl 12305415 Click to see 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 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-O-glucoside 7-O-rhamnoside 25080064 Click to see 610.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
quercetin 3-O-rhamnoside-7-O-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 594.50 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin 7-rhamnoside [M+H]+ 14130919 Click to see 448.40 unknown https://doi.org/10.1016/J.PHYTOCHEM.2009.03.021
Quercetin-3-neohesperidoside-7-rhamnoside 10327769 Click to see 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 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 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
2',4,4',6'-Tetrahydroxychalcone 5280960 Click to see 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 675.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1104185/
> Phenylpropanoids and polyketides / Phenylpropanoic acids
(+-)-3-(4-Hydroxyphenyl)lactic acid 9378 Click to see 182.17 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6093232/
Benzenepropanoic acid 107 Click to see 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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