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 CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(O)(C5C6O)C(C(OC)C23)C14
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum PRITZ Ref.
zoom in