input word = C00010191

Metabolite InformationStructural formula
Name Coumestrol 3-O-glucoside
Coumestrin
Formula C21H18O10
Mw 430.0899968
CAS RN 92631-72-6
C_ID C00010191 ,
InChIKey JSKGNHCHUPJTOQ-DRAKMPNBNA-N
InChICode InChI=1S/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2/t14-,16+,17+,18-,21-/m1/s1
SMILES O=c1oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)ccc2c2oc3cc(O)ccc3c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMedicago sativa Ref.
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OrganismGlycine max
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Olah,Phytochem.,61,(1971),65

Le-Van,Phytochem.,23,(1984),1204