input word = C00033237

Metabolite InformationStructural formula
Name Myrioside B
(+)-Myrioside B
Formula C36H56O10
Mw 648.38734801
CAS RN 471913-92-5
C_ID C00033237 ,
InChIKey RDGWQQQKUDXGRS-NFWTVQMYNA-N
InChICode InChI=1S/C36H56O10/c1-31-13-14-32(2,30(43)44)17-20(31)19-7-8-22-33(3)11-10-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)34(4,18-37)21(33)9-12-36(22,6)35(19,5)16-15-31/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,31+,32+,33-,34+,35+,36+/m0/s1
SMILES C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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OrganismOxytropis myriophylla
ReferenceOkawa,Chem.Pharm.Bull.,52,(2002),1097