Herbacetin 7,4'-dimethyl ether 8-acetate (CHEBI:188161)

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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	Herbacetin 7,4'-dimethyl ether 8-acetate

ChEBI ID	CHEBI:188161

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H16O8

Net Charge

Average Mass

372.329

Monoisotopic Mass

372.08452

InChI

InChI=1S/C19H16O8/c1-9(20)26-18-13(25-3)8-12(21)14-15(22)16(23)17(27-19(14)18)10-4-6-11(24-2)7-5-10/h4-8,21,23H,1-3H3

InChIKey

JMOATYWEVOXWOP-UHFFFAOYSA-N

SMILES

O1C2=C(C(=O)C(O)=C1C3=CC=C(OC)C=C3)C(O)=CC(OC)=C2OC(=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	Herbacetin 7,4'-dimethyl ether 8-acetate (CHEBI:188161) is a hydroxyflavan (CHEBI:72010)

IUPAC Name

[3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] acetate