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 [C@@H]12[C@H]3N(C[C@@]4([C@@H]([C@@H]1OC)[C@]3([C@@H]1C[C@@]3([C@H](C[C@@]2([C@H]1[C@H]3OC(=O)c1ccc(cc1)OC)OCC)OC)O)[C@H](C=C4)OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum episcopale Ref.
PlantaeRanunculaceaeAconitum sp. Ref.
zoom in



OrganismAconitum sp.
ReferenceYang, et al., Phytochemistry, 50, (1999), 345