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 CC1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O[C@@H]5OC(CO)[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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OrganismSophora japonica
ReferenceTang,J. Nat. Prod.,64,(2001),1107