CHEBI:68330 - gallocatechin

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ChEBI Name gallocatechin
ChEBI ID CHEBI:68330
Definition A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomaer). It is isolated from Acacia mearnsii.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H14O7
Net Charge 0
Average Mass 306.26750
Monoisotopic Mass 306.074
InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
InChIKey XMOCLSLCDHWDHP-SWLSCSKDSA-N
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Metabolite of Species Details
Acacia mearnsii (NCBI:139012) Found in bark (BTO:0001301). Spray-dried aqueous extract of bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing gallocatechin (CHEBI:68330) has role metabolite (CHEBI:25212)
gallocatechin (CHEBI:68330) is a catechin (CHEBI:23053)
gallocatechin (CHEBI:68330) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
Incoming fisetinidol-(4α,6)-gallocatechin (CHEBI:68335) has functional parent gallocatechin (CHEBI:68330)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has functional parent gallocatechin (CHEBI:68330)
(−)-gallocatechin (CHEBI:71225) is a gallocatechin (CHEBI:68330)
(+)-gallocatechin (CHEBI:31018) is a gallocatechin (CHEBI:68330)
IUPAC Name
(2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms Sources
(2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol ChEBI
gallocatechol ChemIDplus
Gallocatechol KEGG COMPOUND
rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol ChEBI
Database Links Databases
C00008817 KNApSAcK
C12127 KEGG COMPOUND
Gallocatechol Wikipedia
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Registry Numbers Types Sources
1617-55-6 CAS Registry Number ChemIDplus
8867302 Reaxys Registry Number Reaxys
970-73-0 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21192716 PubMed citation Europe PMC
Last Modified
28 July 2014