7-Galloylcatechin (CHEBI:191955)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7-Galloylcatechin

ChEBI ID	CHEBI:191955

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H18O10

Net Charge

Average Mass

442.376

Monoisotopic Mass

442.09000

InChI

InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2

InChIKey

WKIHBIBUCQPPBY-UHFFFAOYSA-N

SMILES

O1C(C(O)CC=2C1=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC2O)C4=CC(O)=C(O)C=C4

Metabolite of Species	Details
Populus trichocarpa (NCBI:txid3694)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	7-Galloylcatechin (CHEBI:191955) is a catechin (CHEBI:23053)

IUPAC Name

[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate