input word = C00024919

Metabolite InformationStructural formula
Name Kirinine B
Formula C22H31NO3
Mw 357.23039386
CAS RN 161068-72-0
C_ID C00024919 ,
InChIKey LGYIBDCNMQHCDV-GABVMCNFNA-N
InChICode InChI=1S/C22H31NO3/c1-4-23-17-12-9-13-20(3)7-6-14(26-19(20)23)22(13,17)16-15(24)11-5-8-21(12,16)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21+,22-/m1/s1
SMILES [C@@]12(CC[C@H]3[C@@]45[C@H]6[C@]7([C@@H](C[C@H]24)[C@H]5N([C@@H]1O3)CC)[C@@H](C(=C)[C@H]([C@@H]6O)CC7)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum kirinense Ref.
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OrganismAconitum kirinense
ReferenceFeng,Phytochem.,49,(1998),2557