Feedback

(S)-equol 4'-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM148577

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₅H₁₃O₆S

charge

-1

mass

321.04383

reference

InChIKey

UXOJWGSGKUYMIA-GFCCVEGCSA-M

InChI

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

SMILES

O=S(=O)([O-])Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-16825 metacycM:CPD-16825 seed.compound:cpd31743 seedM:cpd31743	(S)-equol 4'-sulfate 4',7-isoflavandiol 4'-sulfate
hmdb:HMDB0240515	Equol 4'-sulfate (3S)-3-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-olate (S)-Equol 4'-sulfuric acid (S)-Equol 4'-sulphate (S)-Equol 4'-sulphuric acid Equol 4'-sulfuric acid Equol 4'-sulphate Equol 4'-sulphuric acid
seedM:M_cpd31743	secondary/obsolete/fantasy identifier