input word = C00005931

Metabolite InformationStructural formula
Name Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)
Formula C43H52O20
Mw 888.3051941
CAS RN 142449-94-3
C_ID C00005931 ,
InChIKey LOZSDYKADWUMPL-WKCMAFECNA-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)62-37-31(50)27(17-45)61-40(35(37)54)58-22-7-5-20(6-8-22)36-38(63-39-34(53)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,37,39-40,44-47,49-50,52-55H,14-18H2,1-4H3/b10-9+,19-11-/t21-,26-,27-,30+,31+,33-,34+,35-,37-,39-,40+,41+,42+,43-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(cc1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)OC(=O)/C=C(/C)\C=C\[C@@]1([C@@]2(C[C@@H](C[C@]1(OC2)C)O)C)O)O)CO)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus complanatus Ref.
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