input word = C00045246

Metabolite InformationStructural formula
Name Bryonioside E
(+)-Bryonioside E
Formula C36H60O10
Mw 652.41864814
CAS RN 405281-92-7
C_ID C00045246 ,
InChIKey XNVPZHUWJCSREL-FCJHLEICNA-N
InChICode InChI=1S/C36H60O10/c1-18(22(38)15-26(40)33(4,5)46-31-30(44)29(43)28(42)23(17-37)45-31)19-13-14-34(6)24-11-9-20-21(10-12-25(39)32(20,2)3)36(24,8)27(41)16-35(19,34)7/h9,18-19,21-26,28-31,37-40,42-44H,10-17H2,1-8H3/t18-,19+,21+,22+,23+,24-,25-,26+,28+,29-,30+,31-,34-,35+,36-/m0/s1
SMILES C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(CC[C@@H]1[C@@H]([C@@H](C[C@@H](O)C(C)(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
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