input word = C00019138

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxyisoflavone 7-O-alpha-L-rhamnopyranoside-4'-O-[(alpha-L-rhamnopyranosyl)-(1->2)-beta-D-glucopyranoside
Genistein 7-O-alpha-L-rhamnopyranoside-4'-O-[(alpha-L-rhamnopyranosyl)-(1->2)-beta-D-glucopyranoside]
Formula C33H40O18
Mw 724.22146448
CAS RN 361447-31-6
C_ID C00019138 ,
InChIKey VGNWBQWUWOUMHU-SUICSJGHNA-N
InChICode InChI=1S/C33H40O18/c1-11-21(36)25(40)28(43)31(46-11)49-15-7-17(35)20-18(8-15)45-10-16(23(20)38)13-3-5-14(6-4-13)48-33-30(27(42)24(39)19(9-34)50-33)51-32-29(44)26(41)22(37)12(2)47-32/h3-8,10-12,19,21-22,24-37,39-44H,9H2,1-2H3/t11-,12+,19-,21+,22+,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-/m1/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]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
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