input word = C00031096

Metabolite InformationStructural formula
Name Pseudaconine
Formula C25H41NO8
Mw 483.28321729
CAS RN 38146-89-3
C_ID C00031096 ,
InChIKey WZGCQIYOKDLWMF-UHFFFAOYNA-N
InChICode InChI=1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23+,24-,25-/m0/s1
SMILES [C@@H]12[C@H]3N(C[C@]4([C@H]([C@]3([C@H]3C[C@]5([C@@H](C[C@@]2([C@@H]3[C@H]5O)O)OC)O)[C@H](C[C@@H]4O)OC)[C@H]1OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum PRITZ Ref.
zoom in