3-O-Methylcoumestrol (CHEBI:174678)

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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	3-O-Methylcoumestrol

ChEBI ID	CHEBI:174678

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H10O5

Net Charge

Average Mass

282.251

Monoisotopic Mass

282.05282

InChI

InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3

InChIKey

YQBVKPREVBFWSA-UHFFFAOYSA-N

SMILES

O1C2=C(C3=C1C=C(O)C=C3)C(OC4=C2C=CC(OC)=C4)=O

ChEBI Ontology
Outgoing	3-O-Methylcoumestrol (CHEBI:174678) is a coumestans (CHEBI:72577)

IUPAC Name

9-hydroxy-3-methoxy-[1]benzouro[3,2-c]chromen-6-one