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 c1(cc(c2c(c1)occ(c2=O)c1cc(c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCeiba pentandra Ref.
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