Ketcher 05102213412D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    8.8567   -7.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567   -8.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -7.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -9.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5888   -7.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5888   -8.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7229   -6.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7229  -10.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889  -10.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8569  -10.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
M  END
> <ID>
CHEBI:90014

> <NAME>
isolimonene

> <DEFINITION>
A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 3 and a prop-1-en-2-yl group at position 6 respectively.

> <STAR>
3

> <SYNONYM>
p-mentha-2,8(10)-diene; iso-limonene; 6-methyl-3-(1-methylethenyl)cyclohexene; 3-methyl-6-prop-1-en-2-ylcyclohexene; 3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene; 2,8-p-menthadiene

> <IUPAC_NAME>
3-methyl-6-(prop-1-en-2-yl)cyclohexene

> <FORMULA>
C10H16

> <MASS>
136.238

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
CC1CCC(C=C1)C(C)=C

> <INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3

> <INCHIKEY>
TWCNAXRPQBLSNO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
499-99-0

> <PUBMED_CITATION>
19329138; 24421258; 29594287

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