input word = C00005930

Metabolite InformationStructural formula
Name Rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside)
Formula C43H52O20
Mw 888.3051941
CAS RN 138505-45-0
C_ID C00005930 ,
InChIKey PUGHVEFZEJLZSW-IIZVZTKTNA-N
InChICode InChI=1S/C43H52O20/c1-19(9-10-43(55)41(2)14-21(46)15-42(43,3)57-18-41)11-28(48)62-38-34(53)31(50)27(17-45)61-40(38)58-22-7-5-20(6-8-22)36-37(63-39-35(54)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,38-40,44-47,49-50,52-55H,14-18H2,1-4H3/b10-9+,19-11-/t21-,26-,27-,30+,31+,33-,34+,35+,38+,39-,40+,41+,42+,43-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4OC(=O)/C=C(C)C=C[C@]4(O)[C@@]5(C)CO[C@]4(C)C[C@@H](O)C5)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus complanatus Ref.
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