Gerberinol (CHEBI:172592)

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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	Gerberinol

ChEBI ID	CHEBI:172592

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H16O6

Net Charge

Average Mass

364.353

Monoisotopic Mass

364.09469

InChI

InChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3

InChIKey

JUCUEMBIORWHSB-UHFFFAOYSA-N

SMILES

O1C=2C(C(O)=C(CC3=C(O)C=4C(OC3=O)=CC=CC4C)C1=O)=C(C=CC2)C

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

ChEBI Ontology
Outgoing	Gerberinol (CHEBI:172592) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

4-hydroxy-3-[(4-hydroxy-5-methyl-2-oxochromen-3-yl)methyl]-5-methylchromen-2-one