input word = C00019139

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxyisoflavone 7-O-rhamnoside-4'-O-(2''-glucosylglucoside)
Formula C33H40O19
Mw 740.2163791
CAS RN 361447-32-7
C_ID C00019139 ,
InChIKey GBAQGJJKVNSNNJ-RSRVUDFZNA-N
InChICode InChI=1S/C33H40O19/c1-11-21(37)25(41)28(44)31(47-11)49-14-6-16(36)20-17(7-14)46-10-15(22(20)38)12-2-4-13(5-3-12)48-33-30(27(43)24(40)19(9-35)51-33)52-32-29(45)26(42)23(39)18(8-34)50-32/h2-7,10-11,18-19,21,23-37,39-45H,8-9H2,1H3/t11-,18-,19-,21+,23-,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]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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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