input word = C00024945

Metabolite InformationStructural formula
Name Paniculamine
Formula C22H35NO5
Mw 393.25152324
CAS RN 174545-79-0
C_ID C00024945 ,
InChIKey MDYZAAWXCSWEAT-LWOLWNPKNA-N
InChICode InChI=1S/C22H35NO5/c1-3-23(28)10-19(2)8-13(25)9-21-15(19)7-14(17(21)23)20-5-4-12(6-16(20)21)22(27,11-24)18(20)26/h12-18,24-27H,3-11H2,1-2H3/t12-,13-,14?,15?,16+,17?,18-,19+,20-,21+,22-,23-/m0/s1
SMILES CC[N+]1([O-])CC2(C)C[C@H](O)CC34[C@@H]2C[C@@H]([C@H]31)[C@@]12CC[C@@H](C[C@@H]41)[C@@](O)(CO)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum paniculatum Ref.
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