input word = C00047771

Metabolite InformationStructural formula
Name Bupleurotoxin
Formula C17H22O2
Mw 258.16197995
CAS RN 111128-27-9
C_ID C00047771 ,
InChIKey UPXPHJXYZGEBCW-VJWXCIGJNA-N
InChICode InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m1/s1
SMILES CCC[C@H](CC/C=C/C=C/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum longiradiatum Ref.
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