(S)-equol 4'-sulfate

(<i>S</i>)-equol 4'-sulfate




Chemical Formula:
C15H13O6S
Molecular Weight:
321.324 Daltons
Monoisotopic Mass:
322.051108872 Daltons
SMILES:
C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)
InChI:
1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)/p-1/t12-/m1/s1
InChIKey:
UXOJWGSGKUYMIA-GFCCVEGCSA-M

Synonyms
  • 4',7-isoflavandiol 4'-sulfate

Databases
MetaCyc:  CPD-16825
PubChem (CID):  29979373
MetaNetX:  MNXM148577