input word = C00019137

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxyisoflavone 7-O-beta-D-glucopyranoside-4'-O-[(beta-D-gucopyranosyl)-(1->2)-beta-D-glucopyranoside]
Genistein 7-O-beta-D-glucopyranoside-4'-O-[(beta-D-gucopyranosyl)-(1->2)-beta-D-glucopyranoside]
Formula C33H40O20
Mw 756.21129372
CAS RN 361447-30-5
C_ID C00019137 ,
InChIKey DXPLUBSZMWAOPG-LGVYSHHNNA-N
InChICode InChI=1S/C33H40O20/c34-7-17-22(39)25(42)28(45)31(50-17)49-13-5-15(37)20-16(6-13)47-10-14(21(20)38)11-1-3-12(4-2-11)48-33-30(27(44)24(41)19(9-36)52-33)53-32-29(46)26(43)23(40)18(8-35)51-32/h1-6,10,17-19,22-37,39-46H,7-9H2/t17-,18+,19+,22+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+/m0/s1
SMILES c1(cc(c2c(c1)occ(c2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
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