input word = C00010104

Metabolite InformationStructural formula
Name Genistin 6''-O-acetate
Formula C23H22O11
Mw 474.11621155
CAS RN 73566-30-0
C_ID C00010104 ,
InChIKey DXWGBJJLEDQBKS-GWXIPAPMNA-N
InChICode InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3/t17-,20+,21-,22+,23+/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)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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