4'-O-methylgallocatechin (CHEBI:70252)

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ChEBI Name	4'-O-methylgallocatechin

ChEBI ID	CHEBI:70252

Definition	A natural product found in Parapiptadenia rigida.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O7

Net Charge

Average Mass

320.29400

Monoisotopic Mass

320.08960

InChI

InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15+/m0/s1

InChIKey

ITDYPNOEEHONAH-DZGCQCFKSA-N

SMILES

COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@@H]1O

Metabolite of Species	Details
Parapiptadenia rigida (NCBI:txid148713)	Found in bark (BTO:0001301). Ethanolic extract of air-dried, powdered 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.

ChEBI Ontology
Outgoing	4'-O-methylgallocatechin (CHEBI:70252) has role metabolite (CHEBI:25212) 4'-O-methylgallocatechin (CHEBI:70252) is a catechin (CHEBI:23053)

Synonym	Source
(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol	ChEBI

Citation	Type	Source
21080642	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:flavonoids(CHEBI:72544); ISA:ether(CHEBI:25698); ISA:hydroxyflavonoid(CHEBI:71968); ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:aromatic alcohol(CHEBI:33854);