input word = C00017500

Metabolite InformationStructural formula
Name 1-Oxo-9-deoxycacalol
Formula C15H16O2
Mw 228.11502975
CAS RN 71047-11-5
C_ID C00017500 ,
InChIKey VPKOSNJRJUMSBQ-SVGMAFHSNA-N
InChICode InChI=1S/C15H16O2/c1-8-4-5-12(16)11-6-13-15(9(2)7-17-13)10(3)14(8)11/h6-8H,4-5H2,1-3H3/t8-/m0/s1
SMILES C1C[C@@H](c2c(C1=O)cc1c(c2C)c(co1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio serratifolius Ref.
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