input word = C00041042

Metabolite InformationStructural formula
Name Liaconitine C
(+)-Liaconitine C
Formula C35H49NO9
Mw 627.34073217
CAS RN 221347-30-4
C_ID C00041042 ,
InChIKey UYZMNHRBMGHMRG-BOKYHSNFNA-N
InChICode InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,32?,33+,34+,35+/m1/s1
SMILES CCO[C@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)cc1)C13C4C2[C@H](OC)[C@@H]1[C@@](COC)(C=C[C@@H]3OC)CN4CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum episcopale Ref.
PlantaeRanunculaceaeAconitum sp. Ref.
zoom in