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 N1(CC)C[C@]2(CC[C@@H]([C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@@]1([C@@H]2[C@H]4C[C@H]([C@H](C1)OC)[C@H]2OC(=O)C)OCC)OC)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum vilmorinianum Kom Ref.
zoom in