input word = C00045245

Metabolite InformationStructural formula
Name Bryonioside D
(+)-Bryonioside D
Formula C36H60O10
Mw 652.41864814
CAS RN 405281-91-6
C_ID C00045245 ,
InChIKey BUMOXZUDDZSIRR-DHSIJMGINA-N
InChICode InChI=1S/C36H60O10/c1-18(9-11-23(38)32(4,5)43)19-13-14-33(6)22-15-26-36(46-26)21(35(22,8)24(39)16-34(19,33)7)10-12-25(31(36,2)3)45-30-29(42)28(41)27(40)20(17-37)44-30/h18-23,25-30,37-38,40-43H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23-,25+,26+,27-,28+,29-,30+,33+,34-,35+,36-/m1/s1
SMILES C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4O[C@]45[C@@H](CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
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