input word = C00010110

Metabolite InformationStructural formula
Name Genistein 7-O-beta-D-glucoside 6''-O-malonate
Genistein 7-O-glucoside-6''-malonate
Malonylgenistin
Formula C24H22O13
Mw 518.10604079
CAS RN 51011-05-3
C_ID C00010110 ,
InChIKey FRAUJUKWSKMNJY-JYQXBKEGNA-N
InChICode InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21+,22-,23+,24+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(cc2)O)c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeLupinus albus Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaePueraria montana var. lobata Ref.
PlantaeFabaceaeTrifolium subterraneum Ref.
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OrganismTrifolium subterraneum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Beck,Aust.J.Chem.,24,(1971),1509