input word = C00017504

Metabolite InformationStructural formula
Name Epicacalone
Formula C15H18O3
Mw 246.12559444
CAS RN 60428-00-4
C_ID C00017504 ,
InChIKey VNNQNPHIASWXBS-BWYNKORANA-N
InChICode InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15-/m0/s1
SMILES C1C[C@@H](C2=C(C1)C(=O)c1c([C@]2(O)C)c(co1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCacalia spp. Ref.
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