input word = C00019036

Metabolite InformationStructural formula
Name Vavain 3'-O-beta-D-glucoside
Pentandrin glucoside
5,3'-Dihydroxy-7,4',5'-trimethoxyisoflavone 3'-O-glucoside
Formula C24H26O12
Mw 506.1424263
CAS RN 199996-76-4
C_ID C00019036 ,
InChIKey MMPUBKJEHCUWON-HEDXYUGYNA-N
InChICode InChI=1S/C24H26O12/c1-31-11-6-13(26)18-14(7-11)34-9-12(19(18)27)10-4-15(32-2)23(33-3)16(5-10)35-24-22(30)21(29)20(28)17(8-25)36-24/h4-7,9,17,20-22,24-26,28-30H,8H2,1-3H3/t17-,20-,21+,22-,24-/m1/s1
SMILES COc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)coc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCeiba pentandra Ref.
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