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equol

MNXM52438 is deprecated and here replaced by MNXM737658
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737658

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₁₄O₃

charge

mass

242.09429

reference

InChIKey

ADFCQWZHKCXPAJ-GFCCVEGCSA-N

InChI

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34741 chebi:34741	equol (-)-(S)-Equol (-)-Equol (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol (S)-(-)-4',7-Isoflavandiol (S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol (S)-Equol 4',7-Dihydroxyisoflavan 4',7-Isoflavandiol Equol
metacyc.compound:CPD-14115 metacycM:CPD-14115	(S)-equol (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol 4',7-isoflavandiol
kegg.compound:C14131 keggC:C14131	Equol
hmdb:HMDB0002209	Equol (+-)-Isomer OF equol (-)-(S)-Equol (-)-Equol (-)-equol (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol (S)-(-)-4',7-Isoflavandiol (S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol (S)-Equol 3' Hydroxy equol 3'-Hydroxy-equol 4' Methoxy 7 isoflavanol 4' O Methyl equol 4',7-Dihydroxyisoflavan 4',7-Isoflavandiol 4'-Methoxy-7-isoflavanol 4'-O-Methyl equol 6' Hydroxy equol 6'-Hydroxy-equol AUS-131(S)-equol Equol, 4'-O-methyl
seed.compound:cpd09832 seedM:cpd09832	Equol (S)-equol 4',7-isoflavandiol
hmdb:HMDB02209 keggC:M_C14131 seedM:M_cpd09832	secondary/obsolete/fantasy identifier