input word = C00045249

Metabolite InformationStructural formula
Name Cabenoside D
Formula C36H60O9
Mw 636.42373351
CAS RN 88901-40-0
C_ID C00045249 ,
InChIKey XMWIWVZEGGOMAU-MXKFTUTDNA-N
InChICode InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(CC[C@@H]2[C@@H](CC[C@H](C(C)(O)C)O)C)C)C)C)C1(C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
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