input word = C00052151

Metabolite InformationStructural formula
Name 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
Formula C13H22O
Mw 194.16706532
CAS RN 17283-81-7
C_ID C00052151
InChIKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
InChICode InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
SMILES CC(=O)CCC1=C(C)CCCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
zoom in