(S)-equol

Chemical Formula:

C₁₅H₁₄O₃

Molecular Weight:

242.274 Daltons

Monoisotopic Mass:

242.09429431569998 Daltons

SMILES:

C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)

InChI:

1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1

InChIKey:

ADFCQWZHKCXPAJ-GFCCVEGCSA-N

Synonyms

Databases

MetaCyc: CPD-14115

ChEBI: 34741

KEGG: C14131

PubChem (CID): 91469

HMDB: HMDB02209

Wikipedia: Equol

RefMet: Equol

Seed: cpd09832

MetaNetX: MNXM52438