input word = C00009707

Metabolite InformationStructural formula
Name Equol
7,4'-Dihydroxyisoflavan
Formula C15H14O3
Mw 242.09429431
CAS RN 94105-90-5
C_ID C00009707 ,
InChIKey ADFCQWZHKCXPAJ-UHFFFAOYNA-N
InChICode 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(C2COc3cc(O)ccc3C2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeFabaceaeMillettia pendula Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismTrifolium pratense
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.