input word = C00033238

Metabolite InformationStructural formula
Name Myrioside C
(-)-Myrioside C
Formula C42H66O15
Mw 810.44017144
CAS RN 471913-93-6
C_ID C00033238 ,
InChIKey MJGCCTLYJFMRQV-VDADQLFANA-N
InChICode InChI=1S/C42H66O15/c1-37-13-14-38(2,36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)17-21(37)20-7-8-24-39(3)11-10-25(55-35-31(50)28(47)29(48)32(56-35)33(51)52)40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@](C1)(C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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