input word = C00036826

Metabolite InformationStructural formula
Name Bonaspectin C 4''-beta-glucoside
(+)-Bonaspectin C 4''-beta-glucoside
Formula C40H54O15
Mw 774.34627106
CAS RN 261949-31-9
C_ID C00036826 ,
InChIKey CFECAYJMAJRTKH-NUEURFJLNA-N
InChICode InChI=1S/C40H54O15/c1-19(11-22-12-25(45-4)39(26(13-22)46-5)55-40-34(44)33(43)32(42)31(18-41)53-40)52-38-29(49-8)16-24(17-30(38)50-9)36-21(3)20(2)35(54-36)23-14-27(47-6)37(51-10)28(15-23)48-7/h12-17,19-21,31-36,40-44H,11,18H2,1-10H3/t19-,20-,21-,31+,32+,33-,34+,35-,36-,40-/m0/s1
SMILES COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC(C)Cc4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)c(OC)c3)[C@H](C)[C@H]2C)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeBonamia spectabilis Ref.
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