input word = C00038348

Metabolite InformationStructural formula
Name Acotoxicine
Formula C22H35NO5
Mw 393.25152324
CAS RN 1075182-48-7
C_ID C00038348 ,
InChIKey YEOLFWLRGOEFNZ-UHFFFAOYNA-N
InChICode InChI=1S/C22H35NO5/c1-4-23-9-11-12-6-14-20(23)22(12,17(28-3)7-15(11)24)13-5-10-16(27-2)8-21(14,26)18(13)19(10)25/h10-20,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16-,17-,18-,19-,20+,21+,22-/m1/s1
SMILES [C@@H]12C[C@H]3[C@]45[C@@H]6[C@@H](C[C@H]4[C@@H](CN6CC)[C@H](C[C@H]5OC)O)[C@]([C@H]3[C@@H]2O)(C[C@H]1OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum toxicum Ref.
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