input word = C00028080

Metabolite InformationStructural formula
Name Columbidine
Formula C26H43NO5
Mw 449.31412349
CAS RN 95690-58-7
C_ID C00028080 ,
InChIKey HVTHYGUXWWSVGZ-UHFFFAOYNA-N
InChICode InChI=1S/C26H43NO5/c1-6-27-13-24(14-29-3)9-8-20(31-5)26-16-10-15-18(30-4)12-25(32-7-2,21(16)22(15)28)17(23(26)27)11-19(24)26/h15-23,28H,6-14H2,1-5H3/t15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25+,26-/m0/s1
SMILES N1(C[C@@]2([C@H]3[C@]4([C@@H]1[C@@H](C3)[C@]1([C@H]3[C@@H]4C[C@@H]([C@H](C1)OC)[C@@H]3O)OCC)[C@H](CC2)OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum columbianum Ref.
PlantaeRanunculaceaeAconitum vilmorinianum Kom Ref.
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OrganismAconitum vilmorinianum Kom
ReferenceDing,Acta Chim.Sin.,52,(1994),932