input word = C00052093

Metabolite InformationStructural formula
Name 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one
Formula C14H22O
Mw 206.16706532
CAS RN 127-43-5
C_ID C00052093
InChIKey LMWNGLDCJDIIBR-CMDGGOBGSA-N
InChICode InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
SMILES CCC(=O)/C=C/C1=C(C)CCCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
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