input word = C00033239

Metabolite InformationStructural formula
Name Myrioside D
(-)-Myrioside D
Formula C47H74O19
Mw 942.48243018
CAS RN 471913-94-7
C_ID C00033239 ,
InChIKey RCVDUSYTVXUQNE-VPWOBBBSNA-N
InChICode InChI=1S/C47H74O19/c1-42-13-14-43(2,41(60)66-39-34(57)30(53)29(52)24(18-48)62-39)17-22(42)21-7-8-26-44(3)11-10-27(45(4,20-49)25(44)9-12-47(26,6)46(21,5)16-15-42)63-40-36(32(55)31(54)35(64-40)37(58)59)65-38-33(56)28(51)23(50)19-61-38/h7,22-36,38-40,48-57H,8-20H2,1-6H3,(H,58,59)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,38-,39-,40+,42+,43+,44-,45+,46+,47+/m0/s1
SMILES C[C@@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)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@@H]6OC[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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