input word = C00027802

Metabolite InformationStructural formula
Name Acoforine
Formula C28H45NO6
Mw 491.32468818
CAS RN 95690-59-8
C_ID C00027802 ,
InChIKey MBNBAHNWJUHSQR-UHFFFAOYNA-N
InChICode InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24-,25+,26-,27+,28+/m1/s1
SMILES CCOC12CC(OC)C3CC(C1C3OC(C)=O)C13C(OC)CCC4(COC)CN(CC)C1C2CC43
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum vilmorinianum Kom Ref.
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OrganismAconitum vilmorinianum Kom
ReferenceDing,Acta Chim.Sin.,52,(1994),932