input word = C00050722

Metabolite InformationStructural formula
Name 4-Methylcyclohexanone
Formula C7H12O
Mw 112.08881501
CAS RN 589-92-4
C_ID C00050722
InChIKey VGVHNLRUAMRIEW-UHFFFAOYSA-N
InChICode InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
SMILES CC1CCC(=O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens f.biserrata Ref.
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