input word = C00001660

Metabolite InformationStructural formula
Name Pseudaconitine
Formula C36H51NO12
Mw 689.3411261
CAS RN 127-29-7
C_ID C00001660 ,
InChIKey YVPYMQHYESYLIR-FTLJTTCFNA-N
InChICode InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28-,29-,30-,31-,33+,34+,35+,36+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](C[C@H]1O)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)CC)(C[C@@H]([C@]([C@@H]5OC(=O)c2ccc(c(c2)OC)OC)(C1)O)OC)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum balfourii Stapf. Ref.
PlantaeRanunculaceaeAconitum falconeri Ref.
PlantaeRanunculaceaeAconitum ferox Ref.
PlantaeRanunculaceaeAconitum spicatum Ref.
zoom in