input word = C00041040

Metabolite InformationStructural formula
Name Liaconitine A
(+)-Liaconitine A
Formula C35H47NO10
Mw 641.31999673
CAS RN 221347-28-0
C_ID C00041040 ,
InChIKey LMEGTVYLQDXSHB-BOKYHSNFNA-N
InChICode InChI=1S/C35H47NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-14,22-30,39H,8,15-18H2,1-7H3/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)OC(=O)C)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.
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OrganismAconitum episcopale
ReferenceYang,Phytochem.,50,(1999),345