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 CC1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O[C@@H]5OC(C)[C@H](O)[C@@H](O)C5O)cc4)coc3c2)C(O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
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