input word = C00039040

Metabolite InformationStructural formula
Name Dolaconine
Episcopalitine
Formula C24H37NO5
Mw 419.2671733
CAS RN 82841-75-6
C_ID C00039040 ,
InChIKey MLYKFKUTKJPICF-UHFFFAOYNA-N
InChICode InChI=1S/C24H37NO5/c1-5-25-11-13-6-7-19(29-4)24-15(13)9-17(22(24)25)23(27)10-18(28-3)14-8-16(24)20(23)21(14)30-12(2)26/h13-22,27H,5-11H2,1-4H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-,22+,23+,24-/m0/s1
SMILES [C@@H]12[C@H]3N(C[C@H]4[C@H]([C@]3([C@H]3C[C@H]5[C@@H](C[C@@]2([C@@H]3[C@H]5OC(=O)C)O)OC)[C@H](CC4)OC)C1)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum episcopale Ref.
PlantaeRanunculaceaeAconitum toxicum Ref.
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