input word = C00019386

Metabolite InformationStructural formula
Name Genistein 8-C-glucoside 6''-O-malonate
5,7,4'-Trihydroxyisoflavone 8-C-(6''-malonylglucoside)
Formula C24H22O13
Mw 518.10604079
CAS RN 147899-33-0
C_ID C00019386 ,
InChIKey ONAKFDCVYIMHKF-QMEDFMBONA-N
InChICode InChI=1S/C24H22O13/c25-10-3-1-9(2-4-10)11-7-36-23-17(19(11)31)12(26)5-13(27)18(23)24-22(34)21(33)20(32)14(37-24)8-35-16(30)6-15(28)29/h1-5,7,14,20-22,24-27,32-34H,6,8H2,(H,28,29)/t14-,20-,21+,22-,24+/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)occ(c2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria montana var. lobata Ref.
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