input word = C00001652

Metabolite InformationStructural formula
Name Lycaconitine
Formula C36H48N2O10
Mw 668.33089577
CAS RN 25867-19-0
C_ID C00001652 ,
InChIKey KFXVNXQXPRPLQA-VOUSOKOLNA-N
InChICode InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@@]([C@H]3OC)([C@H]4N(C2)CC)O)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)OC(=O)c1c(cccc1)N1C(=O)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum barbatum var.puberulum Ref.
PlantaeRanunculaceaeAconitum lycoctonum Ref.
PlantaeRanunculaceaeDelphinium cashmerianum Ref.
PlantaeRanunculaceaeDelphinium cashmirianum Ref.
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OrganismDelphinium cashmerianum
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)