input word = C00013121

Metabolite InformationStructural formula
Name O2-Deacetylevonine
Formula C34H41NO16
Mw 719.24253427
CAS RN 36017-57-9
C_ID C00013121 ,
InChIKey KJMIDUOUTLARSE-UHFFFAOYNA-N
InChICode InChI=1S/C34H41NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,24-28,41,44H,12-13H2,1-8H3/t14-,15-,21+,24+,25+,26+,27-,28-,31-,32-,33+,34-/m1/s1
SMILES c1ccc2c(n1)[C@@H]([C@H](C(=O)O[C@@H]1[C@]([C@@]34O[C@](COC2=O)([C@H]([C@@H]4OC(=O)C)C(=O)[C@H]([C@]3([C@@H]([C@H]1O)OC(=O)C)COC(=O)C)OC(=O)C)C)(O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus europaeus Ref.
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