input word = C00047609

Metabolite InformationStructural formula
Name Verbesinoside B
(+)-Verbesinoside B
Formula C51H74O17
Mw 958.49260094
CAS RN 1162659-63-3
C_ID C00047609 ,
InChIKey SBNHOGAXBFZLIY-NXYJKTIENA-N
InChICode InChI=1S/C51H74O17/c1-46(2)20-27-26-10-11-33-48(5)14-13-34(67-44-41(38(56)37(55)31(22-52)65-44)68-43-39(57)36(54)28(53)23-64-43)47(3,4)32(48)12-15-49(33,6)51(26)19-25(51)18-50(27,45(59)60)21-35(46)66-42(58)24-16-29(61-7)40(63-9)30(17-24)62-8/h10,16-17,25,27-28,31-39,41,43-44,52-57H,11-15,18-23H2,1-9H3,(H,59,60)/t25-,27-,28+,31+,32-,33+,34-,35-,36-,37+,38-,39+,41+,43-,44-,48-,49+,50+,51+/m0/s1
SMILES COc1cc(C(=O)O[C@H]2C[C@]3(C(=O)O)C[C@@H]4C[C@]45C(=CC[C@@H]4[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]45C)[C@@H]3CC2(C)C)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina virginica Ref.
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