3'-O-Methylequol (CHEBI:174585)

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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-Methylequol

ChEBI ID	CHEBI:174585

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O4

Net Charge

Average Mass

272.300

Monoisotopic Mass

272.10486

InChI

InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1

InChIKey

BMADVHDZKAZTNF-GFCCVEGCSA-N

SMILES

O1C[C@@H](CC2=C1C=C(O)C=C2)C3=CC(OC)=C(O)C=C3

ChEBI Ontology
Outgoing	3'-O-Methylequol (CHEBI:174585) is a ether (CHEBI:25698) 3'-O-Methylequol (CHEBI:174585) is a flavonoids (CHEBI:72544)

IUPAC Name

(3S)-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol