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Theobroma cacao

Theobroma cacao - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Theobroma cacao - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Theobroma cacao - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID643fff12d56db091651535
Scientific name Theobroma cacao
Authority L.
First published in Sp. Pl. : 782 (1753)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Theobroma sphaerocarpum A.Chev. Vég. Ut. Afr. Trop. Franç. 4: 12 (1908)
Theobroma leiocarpum Bernoulli Denkschr. Schweiz. Naturf. Ges. 24(3): 6 (1871)
Theobroma sapidum Pittier Bol. Soc. Venez. Ci. Nat. 1: 183 (1932)
Theobroma salzmanniana Bernoulli Denkschr. Schweiz. Naturf. Ges. 24(3): 7 (1871)
Theobroma cacao f. leiocarpum (Bernoulli) Ducke Rodriguésia 4: 274. 1940
Theobroma cacao subsp. leiocarpum (Bernoulli) Cuatrec. in J.F.Macbr. Publ. Field Mus. Nat. Hist., Bot. Ser. 13, pt. 3A: 654. 1956
Theobroma cacao var. leiocarpum (Bernoulli) Cif. Mem. Cl. Sci. Fis. Mat. Nat. Reale Accad. Italia 4: 604 (1933)
Theobroma cacao subsp. sphaerocarpum (A.Chev.) Cuatrec. Contr. U.S. Natl. Herb. 35: 515 (1964)
Cacao minar Gaertn. Fruct. Sem. Pl. 2: 190 1791
Cacao sativa Aubl. Hist. Pl. Guiane 2: 689 (1775)
Cacao theobroma Tussac Fl. Antill. 1: t. 13 (1811)
Theobroma sativum (Aubl.) Lign. & Bey Bull. Soc. Linn. Normandie 8: 263 (1904)
Theobroma kalagua De Wild. Bull. Herb. Boissier 7: 957 (1899)
Theobroma pentagonum Bernoulli Denkschr. Schweiz. Naturf. Ges. 24(3): 6 (1871)
Cacao minus Gaertn. Fruct. Sem. Pl. 2: 190 (1791)
Theobroma integerrimum Stokes Bot. Mat. Med. 4: 83 (1812)
Theobroma saltzmanniana Bernoulli Übersicht Theobroma 7, t. 2 1869
Theobroma sativa (Aubl.) Lign. & Bey Bull. Soc. Linn. Normandie 8: 263 (1904)
Theobroma sativa var. leucosperma A.Chev. Bull. Inter. Bot. Appliq. 26: 270 1946
Theobroma sativa var. melanosperma A.Chev. Bull. Inter. Bot. Appliq. 26: 270 1946
Theobroma cacao subsp. sativa (Aubl.) León Hardy's Cacao Man. 312 1960
Theobroma cacao subsp. pentagonum (Bernoulli) León Hardy's Cacao Man. : 312 (1960)

Common names Top

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Language Common/alternative name
English cacao
English food of the gods
English cacao cacao
English cacao species
English cacao tree
English chocolate tree
English cocoa plant
English source of cocoa and chocolate
English chocolate
Spanish arbol de cacao
Spanish especie de cacao
Spanish fuente de cacao
Spanish la comida de los dioses
Afrikaans kakaoboom
Arabic أشجار الكاكاو
Arabic شجرة الكاكاو
Arabic كاكاو
Arabic اللوز الهندي
Azerbaijani kakao ağacı
azb کاکائو آغاجی
ban coklat
bar gaugau
bcl kakaw
Belarusian Какава
Bulgarian какаово дърво
Bengali কোকোয়া(উদ্ভিদ)
Bengali কোকোয়া
Bosnian kakaovac
Catalan cacau ensucrat
Catalan cacau
ceb kokoa
ceb cacao
ceb cocoa
ceb kakao
ceb kakawo
ceb kokowa
ceb kakaw
Czech kakaovník
Czech kakaovník pravý
Danish kakaotræ
Danish Ægte kakaotræ
Danish kakao
German kakaobaum
Greek Κακαόδεντρο
Estonian kakaopuu
Estonian kakaouba
Estonian harilik kakaopuu
Basque kakaua
Basque kakao
Persian درخت کاکائو
Finnish kaakaopuu
French trinitario
French cacaotier
French cacaoyer
frr kakaobuum
Irish cócó
Irish cacó
Irish crann cócó
Irish crann cacó
Galician cacao
gn kuvuasu
Hausa koko
Hebrew קקאו
Croatian kakao
Croatian kakaovac
Upper Sorbian prawy kakawowc
ht kakawo
Hungarian kakaófa
Hungarian kakaó
Armenian կակաոյի ծառ
hyw Քաքաօ
ia arbore de cacao
Indonesian kakao
Icelandic kakó
Japanese カカオ豆
Japanese ココアノキ
Japanese 加加阿
Japanese カカオ
jv kakao
Georgian კაკაო
kge kopi coklat
Kikuyu cocoa
Kazakh Какао
Korean 카카오 나무
Korean 카카오나무
Korean 코코아나무
Korean 카카오
ku kakao
la cacao
ln kakao
ln kaukau
Lithuanian tikrasis kakavmedis
Latvian Īstais kakaokoks
Latvian kakao
Latvian kakaokoks
Malagasy kakao
Macedonian какаово дрво
Macedonian какао
Malayalam കൊക്കോ
mn Какао
Marathi कोको
Malay pokok koko
Malay koko
mul chocolate tree
mul chocolate
mwl cacau
Burmese ကကေးအိုပင်
nah cacahuacuahuitl
nan chi-ku-la̍t-châng
nap cacavo
Norwegian Bokmål kakaodyrking
Norwegian Bokmål kakaotre
Dutch cacao
Dutch cacaoboom
Norwegian Nynorsk t. cacao
Norwegian Nynorsk kakaotre
oc cacao
oc cacau
pam kako
pcd caco
Polish kakaowiec właściwy
Punjab کوکو رکھ
Portuguese cacaueiro
Portuguese cacau
Quechua cacao
Quechua cocoa
Quechua kakawa
Quechua kakawa k'aspi
Quechua kakawa kaspi
Quechua kakaw
Romanian arborele de cacao
Russian cacao
Russian Шоколадное дерево
Russian Какао-дерево
Russian какао
rup cacauã
Serbo-Croatian kakaovac
Slovak kakaovník pravý
Slovenian kakav
Slovenian kakavovec
Serbian какаовац
su kakao
Swedish kakao
Swahili mkakao
Tamil கொக்கோ
Thai โกโก้
Tonga koko
Turkish kakao tanesi
Turkish kakao
tt какау
Ukrainian какао
Urdu کوکو درخت
Uzbek kakao
Vietnamese ca cao
Vietnamese ca-cao
Vietnamese cacao
war kakao
xmf კაკაო
yi קאקאא בוים
Chinese 可可
Chinese 黄背草
Chinese 可可（可可树、柯柯豆、柯柯树）
Chinese 可可樹
Chinese 柯柯树
Chinese 柯柯豆
Chinese 可可树

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • West Tropical Africa
      • Ghana
      • Guinea
      • Ivory Coast
      • Nigeria
      • Togo
    • West-central Tropical Africa
      • Cameroon
      • Gulf Of Guinea Islands
      • Zaïre
    • Western Indian Ocean
      • Comoros
      • Seychelles
  • Asia-tropical
    • Indian Subcontinent
      • Sri Lanka
    • Indo-China
      • Andaman Islands
      • Laos
      • Nicobar Nicobar
      • Vietnam
  • Pacific
    • Northwestern Pacific
      • Caroline Islands
      • Marianas
    • South-central Pacific
      • Cook Islands
      • Society Islands
    • Southwestern Pacific
      • Fiji
      • Vanuatu
  • Southern America
    • Brazil
      • Brazil North
      • Brazil Northeast
    • Caribbean
      • Cayman Islands
      • Cuba
      • Dominican Republic
      • Haiti
      • Jamaica
      • Leeward Islands
      • Puerto Rico
      • Trinidad-Tobago
      • Windward Islands
    • Central America
      • Belize
      • Central American Pacific
      • Costa Rica
      • El Salvador
      • Guatemala
      • Honduras
    • Northern South America
      • French Guiana
      • Guyana
      • Suriname
      • Venezuela
    • Western South America
      • Bolivia
      • Colombia
      • Ecuador
      • Peru

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000458440
UNII EB048G1S9J
USDA Plants THCA
Tropicos 30400642
INPN 447630
KEW urn:lsid:ipni.org:names:320783-2
The Plant List kew-2519807
Missouri Botanical Garden 287263
Open Tree Of Life 388185
NCBI Taxonomy 3641
IPNI 320783-2
iNaturalist 64340
GBIF 3152205
Freebase /m/0fwpd
EPPO THOCA
EOL 484592
Elurikkus 7914
US Library of Congress sh85018593
USDA GRIN 101885
Wikipedia Theobroma_cacao
CMAUP NPO15401
Observations.org 336536
PFAF Theobroma cacao

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_000208745.1 Criollo_cocoa_genome_V2 Chromosome CIRAD 2016-07-09 N/A 309.68 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
An integrated multi-omics approach reveals polymethoxylated flavonoid biosynthesis in Citrus reticulata cv. Chachiensis Wen J, Wang Y, Lu X, Pan H, Jin D, Wen J, Jin C, Sahu SK, Su J, Luo X, Jin X, Zhao J, Wu H, Liu EH, Liu H Nat Commun 11-May-2024
PMCID:PMC11088696
doi:10.1038/s41467-024-48235-y
PMID:38734724
The complete chloroplast genome of Durio zibethinus L. cultivar Ri6 (Helicteroideae, Malvaceae) Gia Huy T, Thi NP, Do HD, Khang DT Mitochondrial DNA B Resour 08-May-2024
PMCID:PMC11086024
doi:10.1080/23802359.2024.2350619
PMID:38737395
The ethanol extract of cocoa pod husk minimizes hyperalgesia and blood glucose levels in diabetic neuropathy model through transient receptor protein vanilloid (TRPV)-1 Aprila Fajrin F, Holidah D, Nurhidayah H, Suci Wulansari P, Pudji Restanto D, Azkiyah L, Witono Y, Satia Nugraha A Saudi Pharm J 06-May-2024
PMCID:PMC11091690
doi:10.1016/j.jsps.2024.102097
PMID:38746850
In Silico Identification and Characterization of Fatty Acid Desaturase (FAD) Genes in Argania spinosa L. Skeels: Implications for Oil Quality and Abiotic Stress El Faqer A, Rabeh K, Alami M, Filali-Maltouf A, Belkadi B Bioinform Biol Insights 05-May-2024
PMCID:PMC11072076
doi:10.1177/11779322241248908
PMID:38711943
Application of Developmental Regulators for Enhancing Plant Regeneration and Genetic Transformation Xu P, Zhong Y, Xu A, Liu B, Zhang Y, Zhao A, Yang X, Ming M, Cao F, Fu F Plants (Basel) 04-May-2024
PMCID:PMC11085514
doi:10.3390/plants13091272
PMID:38732487
Anticancer properties and metabolomic profiling of Shorea roxburghii extracts toward gastrointestinal cancer cell lines Janthamala S, Promraksa B, Thanee M, Duenngai K, Jusakul A, Kongpetch S, Kraiklang R, Thanee K, Pinlaor P, Namwat N, Saya H, Techasen A BMC Complement Med Ther 30-Apr-2024
PMCID:PMC11061966
doi:10.1186/s12906-024-04479-1
PMID:38689275
High potential extracts from cocoa byproducts through sonotrode optimal extraction and a comprehensive characterization Ramos-Escudero F, Rojas-García A, Cádiz-Gurrea MD, Segura-Carretero A Ultrason Sonochem 26-Apr-2024
PMCID:PMC11070619
doi:10.1016/j.ultsonch.2024.106887
PMID:38696912
Wilson Disease: Copper-Mediated Cuproptosis, Iron-Related Ferroptosis, and Clinical Highlights, with Comprehensive and Critical Analysis Update Teschke R, Eickhoff A Int J Mol Sci 26-Apr-2024
PMCID:PMC11084815
doi:10.3390/ijms25094753
PMID:38731973
Usefulness of Opuntia spp. on the Management of Obesity and Its Metabolic Co-Morbidities Gómez-García I, Fernández-Quintela A, González M, Gómez-Zorita S, Muguerza B, Trepiana J, Portillo MP Nutrients 25-Apr-2024
PMCID:PMC11085070
doi:10.3390/nu16091282
PMID:38732528
Commodity risk assessment of Petunia spp. and Calibrachoa spp. unrooted cuttings from Kenya Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Reignault PL, Stefani E, Thulke H, Van der Werf W, Civera AV, Yuen J, Zappalà L, Manda RR, Schulz OM, Akrivou A, Antonatos S, Beris D, Debode J, Kritikos C, Kormpi M, Lacomme C, Manceau C, Papachristos D, Reppa C, Gardi C, Potting R EFSA J 25-Apr-2024
PMCID:PMC11044013
doi:10.2903/j.efsa.2024.8742
PMID:38665158
Coffee, tea, and cocoa in obesity prevention: Mechanisms of action and future prospects Wang Q, Hu GL, Qiu MH, Cao J, Xiong WY Curr Res Food Sci 20-Apr-2024
PMCID:PMC11061710
doi:10.1016/j.crfs.2024.100741
PMID:38694556
Evaluation of stress tolerance and design of alternative culture media for the production of fermentation starter cultures in cacao Constante Catuto MP, Tigrero-Vaca J, Villavicencio-Vasquez M, Montoya DC, Cevallos JM, Coronel-León J Heliyon 19-Apr-2024
PMCID:PMC11063452
doi:10.1016/j.heliyon.2024.e29900
PMID:38699711
Profiling genome‐wide methylation in two maples: Fine‐scale approaches to detection with nanopore technology McEvoy SL, Grady PG, Pauloski N, O'Neill RJ, Wegrzyn JL Evol Appl 17-Apr-2024
PMCID:PMC11022628
doi:10.1111/eva.13669
PMID:38633133
Look4LTRs: a Long terminal repeat retrotransposon detection tool capable of cross species studies and discovering recently nested repeats Garza AB, Lerat E, Girgis HZ Mob DNA 16-Apr-2024
PMCID:PMC11020628
doi:10.1186/s13100-024-00317-w
PMID:38627766
Genome-Wide Identification of Calmodulin-Binding Protein 60 Gene Family and the Function of GhCBP60B in Cotton Growth and Development and Abiotic Stress Response Luo K, Sha L, Li T, Wang C, Zhao X, Pan J, Zhu S, Li Y, Chen W, Yao J, Rong J, Zhang Y Int J Mol Sci 15-Apr-2024
PMCID:PMC11049924
doi:10.3390/ijms25084349
PMID:38673934

Phytochemical Profile Top

Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives
1-Phenylethanol 7409 Click to see CC(C1=CC=CC=C1)O 122.16 unknown https://doi.org/10.1021/JF60160A011
Phenethyl acetate 7654 Click to see CC(=O)OCCC1=CC=CC=C1 164.20 unknown https://doi.org/10.1021/JF60160A011
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown https://doi.org/10.1021/JF60160A011
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Isopentyl benzoate 7193 Click to see CC(C)CCOC(=O)C1=CC=CC=C1 192.25 unknown https://doi.org/10.1021/JF60160A011
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid 243 Click to see C1=CC=C(C=C1)C(=O)O 122.12 unknown https://doi.org/10.1007/S00217-006-0252-X
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid 3469 Click to see C1=CC(=C(C=C1O)C(=O)O)O 154.12 unknown https://doi.org/10.1515/ZNC-1998-9-1002
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.1021/JF0615247
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1021/JF0615247
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
4,5,6-Trihydroxy-7-methylphthalide 10420195 Click to see CC1=C2C(=C(C(=C1O)O)O)COC2=O 196.16 unknown via CMAUP database
Syringic acid 10742 Click to see COC1=CC(=CC(=C1O)OC)C(=O)O 198.17 unknown https://doi.org/10.1021/JF0615247
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 unknown https://doi.org/10.1021/JF0615247
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1021/JF0615247
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown https://doi.org/10.1021/JF60160A011
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
4-Methyl-2-phenyl-2-pentenal 540124 Click to see CC(C)C=C(C=O)C1=CC=CC=C1 174.24 unknown https://doi.org/10.1021/JF60160A011
Benzeneacetaldehyde, alpha-ethylidene- 20446 Click to see CC=C(C=O)C1=CC=CC=C1 146.19 unknown https://doi.org/10.1021/JF60160A011
CID 576026 576026 Click to see CC(C)CC=C(C=O)C1=CC=CC=C1 188.26 unknown https://doi.org/10.1021/JF60160A011
Phenylacetaldehyde 998 Click to see C1=CC=C(C=C1)CC=O 120.15 unknown https://doi.org/10.1021/JF60160A011
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol 996 Click to see C1=CC=C(C=C1)O 94.11 unknown https://doi.org/10.1021/JF60160A011
https://doi.org/10.1007/S00217-006-0252-X
> Benzenoids / Phenols / Benzenetriols and derivatives / Pyrogallols and derivatives
Flavipin 3083587 Click to see CC1=C(C(=C(C(=C1O)O)O)C=O)C=O 196.16 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
Vanillin 1183 Click to see COC1=C(C=CC(=C1)C=O)O 152.15 unknown https://doi.org/10.1007/S00217-006-0252-X
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Pentadecane 12391 Click to see CCCCCCCCCCCCCCC 212.41 unknown https://doi.org/10.1017/S1742758400005282
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Pentadecene 25913 Click to see CCCCCCCCCCCCCC=C 210.40 unknown https://doi.org/10.1017/S1742758400005282
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown https://doi.org/10.1111/J.1365-2621.1992.TB06881.X
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1111/J.1365-2621.1992.TB06881.X
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown https://doi.org/10.1111/J.1365-2621.1992.TB06881.X
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(25R)-5alpha-spirostan-3beta,6alpha-diol 52931478 Click to see CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C 448.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-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 12314479 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1002/LIPI.19390460107
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 122544 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1002/LIPI.19390460107
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Vitamin D and derivatives
Cholecalciferol 5280795 Click to see CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C 384.60 unknown https://doi.org/10.1515/ZNC-1998-9-1002
Viostdrol 5353610 Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C 396.60 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
Uridine 6029 Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O 244.20 unknown https://doi.org/10.1080/01483918708068901
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
2-[3-(3,4-Dihydroxyphenyl)prop-2-enoylamino]butanedioic acid 74081743 Click to see C1=CC(=C(C=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O)O 295.24 unknown https://doi.org/10.1021/JF050458Q
2-[3-(4-Hydroxyphenyl)prop-2-enoylamino]butanedioic acid 74346578 Click to see C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O 279.24 unknown https://doi.org/10.1021/JF050458Q
N-Caffeoyl-L-aspartic acid 23658567 Click to see C1=CC(=C(C=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O)O 295.24 unknown https://doi.org/10.1021/JF050458Q
N-Coumaroyl-L-aspartic acid 68537088 Click to see C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O 279.24 unknown https://doi.org/10.1021/JF050458Q
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
2-[3-(3,4-Dihydroxyphenyl)prop-2-enoylamino]-3-(4-hydroxyphenyl)propanoic acid 67075895 Click to see C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O 343.30 unknown https://doi.org/10.1021/JF050458Q
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]propanoic acid 66868367 Click to see C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 359.30 unknown https://doi.org/10.1021/JF050458Q
3-(4-Hydroxyphenyl)-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]propanoic acid 74346575 Click to see C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC=C(C=C2)O)O 327.30 unknown https://doi.org/10.1021/JF050458Q
cis-Clovamide 6443790 Click to see C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 359.30 unknown https://doi.org/10.1021/JF980760H
N-(E)-Caffeoyl-L-tyrosine 10308838 Click to see C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O 343.30 unknown https://doi.org/10.1021/JF050458Q
N-Coumaroyl-3-hydroxytyrosine 68540305 Click to see C1=CC(=CC=C1C=CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)O 343.30 unknown https://doi.org/10.1021/JF050458Q
N-p-Coumaroyltyrosine 15825666 Click to see C1=CC(=CC=C1CC(C(=O)O)NC(=O)C=CC2=CC=C(C=C2)O)O 327.30 unknown https://doi.org/10.1021/JF050458Q
p-Coumaroyl 3-hydroxytyrosine 74346580 Click to see C1=CC(=CC=C1C=CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)O 343.30 unknown https://doi.org/10.1021/JF050458Q
trans-Clovamide 6506968 Click to see C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 359.30 unknown https://doi.org/10.1021/JF050458Q
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl Acetate 8857 Click to see CCOC(=O)C 88.11 unknown https://doi.org/10.1021/JF60160A011
Isobutyl acetate 8038 Click to see CC(C)COC(=O)C 116.16 unknown https://doi.org/10.1021/JF60160A011
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline 305 Click to see C[N+](C)(C)CCO 104.17 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Inositol phosphates
Phytic acid 890 Click to see C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 660.04 unknown https://doi.org/10.1515/ZNC-1998-9-1002
https://doi.org/10.1515/ZNC-1998-9-1002
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1111/J.1365-2621.1983.TB10787.X
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
Isoamyl alcohol 31260 Click to see CC(C)CCO 88.15 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
2-Pentanol 22386 Click to see CCCC(C)O 88.15 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
Sucrose 5988 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose 5984 Click to see C(C(C(C(C(=O)CO)O)O)O)O 180.16 unknown https://doi.org/10.1515/ZNC-1998-9-1002
D-Fructose 2723872 Click to see C1C(C(C(C(O1)(CO)O)O)O)O 180.16 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Glucose 5793 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1515/ZNC-1998-9-1002
D(+)-Glucose 107526 Click to see C(C(C(C(C(C=O)O)O)O)O)O 180.16 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Verbascose 441434 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OC5(C(C(C(O5)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O 828.70 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid 90062900 Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O 194.14 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins
Acetoin 179 Click to see CC(C(=O)C)O 88.11 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
3-(Methylthio)propionaldehyde 18635 Click to see CSCCC=O 104.17 unknown https://doi.org/10.1021/JF60160A011
Isovaleraldehyde 11552 Click to see CC(C)CC=O 86.13 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Methylfurfural 12097 Click to see CC1=CC=C(O1)C=O 110.11 unknown https://doi.org/10.1021/JF60160A011
Furfural 7362 Click to see C1=COC(=C1)C=O 96.08 unknown https://doi.org/10.1021/JF60160A011
Pyrrole-2-carboxaldehyde 13854 Click to see C1=CNC(=C1)C=O 95.10 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Isopropyl-5-methyl-2-hexenal 37066 Click to see CC(C)CC=C(C=O)C(C)C 154.25 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
2-Acetylfuran 14505 Click to see CC(=O)C1=CC=CO1 110.11 unknown https://doi.org/10.1021/JF60160A011
2-Acetylpyrrole 14079 Click to see CC(=O)C1=CC=CN1 109.13 unknown https://doi.org/10.1021/JF60160A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Acetophenone 7410 Click to see CC(=O)C1=CC=CC=C1 120.15 unknown https://doi.org/10.1021/JF60160A011
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
Epicoccolide A 71732639 Click to see CC1=C(C2=C(C(=C1O)O)OC3C4=C(C(=C(C(=C4C(=O)C2O3)C)O)O)O)C=O 374.30 unknown via CMAUP database
Mellein 28516 Click to see CC1CC2=C(C(=CC=C2)O)C(=O)O1 178.18 unknown https://doi.org/10.1007/S00217-006-0252-X
> Organoheterocyclic compounds / Diazines / Pyrazines
2-Ethyl-5-methylpyrazine 25915 Click to see CCC1=NC=C(N=C1)C 122.17 unknown https://doi.org/10.1021/JF60160A011
2-Ethylpyrazine 26331 Click to see CCC1=NC=CN=C1 108.14 unknown https://doi.org/10.1021/JF60160A011
2-Methylpyrazine 7976 Click to see CC1=NC=CN=C1 94.11 unknown https://doi.org/10.1021/JF60160A011
2,3,5,6-Tetramethylpyrazine 14296 Click to see CC1=C(N=C(C(=N1)C)C)C 136.19 unknown https://doi.org/10.1021/JF60160A011
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Thiamines
3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium 1130 Click to see CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO 265.36 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Organoheterocyclic compounds / Heteroaromatic compounds
Furfuryl alcohol 7361 Click to see C1=COC(=C1)CO 98.10 unknown https://doi.org/10.1021/JF60160A011
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
Adenine 190 Click to see C1=NC2=NC=NC(=C2N1)N 135.13 unknown https://doi.org/10.1080/01483918308067014
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
3,7-di((113C)methyl)purine-2,6-dione 9989875 Click to see CN1C=NC2=C1C(=O)NC(=O)N2C 182.15 unknown via CMAUP database
7-Methylxanthine 68374 Click to see CN1C=NC2=C1C(=O)NC(=O)N2 166.14 unknown via CMAUP database
Caffeine 2519 Click to see CN1C=NC2=C1C(=O)N(C(=O)N2C)C 194.19 unknown https://doi.org/10.1016/S0031-9422(00)00169-2
https://doi.org/10.1093/JXB/43.6.769
https://doi.org/10.1111/J.1365-2621.1984.TB13737.X
https://doi.org/10.1007/BF01187339
https://doi.org/10.1111/J.1365-2621.1983.TB10787.X
https://doi.org/10.1016/S0031-9422(00)94827-1
https://doi.org/10.1021/JF980760H
https://doi.org/10.1515/ZNC-1998-9-1002
https://doi.org/10.1016/S0021-9673(01)87627-5
https://doi.org/10.1002/PCA.2800020104
Theobromine 5429 Click to see CN1C=NC2=C1C(=O)NC(=O)N2C 180.16 unknown https://doi.org/10.1078/0176-1617-01253
https://doi.org/10.1021/JF020128V
https://doi.org/10.1111/J.1365-2621.1984.TB13737.X
https://doi.org/10.1002/PCA.2800020104
https://doi.org/10.1016/S0031-9422(00)94827-1
https://doi.org/10.1007/BF01187339
https://doi.org/10.1515/ZNC-1998-9-1002
https://doi.org/10.1093/JXB/43.6.769
https://doi.org/10.1016/S0021-9673(01)87627-5
https://doi.org/10.1021/JF980760H
Theophylline 2153 Click to see CN1C2=C(C(=O)N(C1=O)C)NC=N2 180.16 unknown https://doi.org/10.1002/PCA.2800020104
https://doi.org/10.1093/JXB/43.6.769
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives
Tryptamine 1150 Click to see C1=CC=C2C(=C1)C(=CN2)CCN 160.22 unknown https://doi.org/10.1021/JF000508L
> 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://doi.org/10.1021/JF000508L
> Organoheterocyclic compounds / Isocoumarans
4,6-Dihydroxy-5-methoxy-7-methyl-1,3-dihydroisobenzofuran 123784052 Click to see CC1=C2COCC2=C(C(=C1O)OC)O 196.20 unknown via CMAUP database
7-Methyl-1,3-dihydro-2-benzofuran-4,5,6-triol 10845133 Click to see CC1=C2COCC2=C(C(=C1O)O)O 182.17 unknown via CMAUP database
> Organoheterocyclic compounds / Naphthopyrans
Acetosellin 10883740 Click to see CC=CC=CC=CC1=CC(=C2C3=C1C4=C(COC(C4)CO)C(=O)C3(OC2=O)C)O 394.40 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines
Pyridoxine 1054 Click to see CC1=NC=C(C(=C1O)CO)CO 169.18 unknown https://doi.org/10.1515/ZNC-1998-9-1002
> Organoheterocyclic compounds / Tetrahydrofurans
2-Methyltetrahydrofuran 7301 Click to see CC1CCCO1 86.13 unknown https://doi.org/10.1021/JF60160A011
> Organoheterocyclic compounds / Tetrahydroisoquinolines
Salsolinol 91588 Click to see CC1C2=CC(=C(C=C2CCN1)O)O 179.22 unknown via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
Epicoccolide B 11210533 Click to see CC1=C(C2=C(C(=C1O)O)OC(=C2)C3=C(C(=C(C(=C3C=O)O)O)O)C)C=O 358.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl- 8784 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1021/JF0615247
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1021/JF0615247
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid 709 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1021/JF0615247
4-Hydroxycinnamic acid 322 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1021/JF0615247
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://doi.org/10.1515/ZNC-1998-9-1002
https://doi.org/10.1021/JF0615247
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1021/JF0615247
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1021/JF0615247
Sinapic acid 10743 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown https://doi.org/10.1021/JF0615247
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown https://doi.org/10.1021/JF0615247
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(1S,5R,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-21-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol 118731401 Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C8=CC(=C(C=C8)O)O)O 738.60 unknown via CMAUP database
(1S,5R,6R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-21-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol 102594774 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1026.90 unknown via CMAUP database
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol 5320711 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.1016/0031-9422(91)84228-K
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 11649946 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 16163749 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1155.00 unknown https://doi.org/10.1021/JF050457Y
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 130556 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1021/JF050457Y
3T-O-alpha-L-Arabinopyranosylcinnamtannin B1 102594773 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)OC9C(C(C(CO9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 996.90 unknown via CMAUP database
Arecatannin A3 16162334 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1443.30 unknown https://doi.org/10.1021/JF050457Y
CID 21881649 21881649 Click to see COC1=C(C=C(C=C1O)C2C(CC3=C(O2)C(=C(C=C3O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O 592.50 unknown https://doi.org/10.1016/S0304-3835(02)00276-8
Cinnamtannin A2 16130899 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1155.00 unknown https://doi.org/10.1021/JF050457Y
Cinnamtannin A3 16129741 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1443.30 unknown https://doi.org/10.1021/JF050457Y
ent-Epicatechin-(4alpha->6)-ent-epicatechin 13990892 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1021/JF050457Y
Proanthocyanidin A1 9872976 Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O 576.50 unknown via CMAUP database
Procyanidin A2 124025 Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O 576.50 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
Procyanidin B1 11250133 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B2, (+)- 122738 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.1016/0031-9422(91)84228-K
https://doi.org/10.1021/JF050457Y
Procyanidin B5 124017 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown https://doi.org/10.1021/JF050457Y
Procyanidin C1 169853 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.1021/JF050457Y
Procyanidin trimer T2 13751990 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown https://doi.org/10.1021/JF050457Y
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
8,8'-Methylenebiscatechin 46182787 Click to see C1C(C(OC2=C1C(=CC(=C2CC3=C(C=C(C4=C3OC(C(C4)O)C5=CC(=C(C=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 592.50 unknown via CMAUP database
Cianidanol 9064 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1002/PCA.583
https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.3177/JNSV.46.199
https://doi.org/10.1111/J.1365-2621.1983.TB10787.X
https://doi.org/10.1021/JF000050N
https://doi.org/10.1021/JF980760H
https://doi.org/10.1016/S0278-6915(01)00076-X
https://doi.org/10.1271/BBB.62.1535
https://doi.org/10.1016/0031-9422(91)84228-K
Epicatechin 72276 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1111/J.1365-2621.1983.TB10787.X
https://doi.org/10.1016/S0031-9422(02)00051-1
https://doi.org/10.1021/JF000050N
https://doi.org/10.1271/BBB.62.1535
https://doi.org/10.3177/JNSV.46.199
https://doi.org/10.1002/PCA.583
https://doi.org/10.1016/S0278-6915(01)00076-X
https://doi.org/10.1111/J.1365-2621.1984.TB10400.X
https://doi.org/10.1093/JN/132.7.1825
https://doi.org/10.1021/JF980760H
https://doi.org/10.1016/S0014-5793(99)01498-2
https://doi.org/10.1016/0031-9422(91)84228-K
Procyanidin 107876 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O 594.50 unknown https://doi.org/10.1021/JF990317M
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
Epigallocatechin Gallate 65064 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 458.40 unknown https://doi.org/10.1093/JN/132.7.1825
https://doi.org/10.1016/S0014-5793(99)01498-2
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetin 5280343 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 unknown https://doi.org/10.3177/JNSV.46.199
https://doi.org/10.1093/JN/132.7.1825
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 4481259 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown https://doi.org/10.1021/JF304397M
Cyanidin 3-O-galactoside 441699 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
Kuromanin 441667 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown https://doi.org/10.1021/JF304397M
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 5317057 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O 452.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 51402807 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown https://doi.org/10.1021/JF980760H
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3-dihydrochromen-4-one 5317364 Click to see C1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 436.40 unknown https://doi.org/10.1021/JF980760H
Cyanidin 3-arabinoside cation 12137509 Click to see C1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O 419.40 unknown via CMAUP database
Guaijaverin 5481224 Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.30 unknown https://doi.org/10.1021/JF050457Y
Quercetin 3-arabinoside 10252339 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown https://doi.org/10.1016/S0031-9422(02)00051-1
Reynoutrin 5878729 Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.30 unknown https://doi.org/10.1021/JF050457Y
> Phenylpropanoids and polyketides / Stilbenes
(2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid 9913656 Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O 494.40 unknown via CMAUP database

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