Marvin  01251212372D          

 15 15  0  0  1  0            999 V2000
   12.9428   -5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9428   -4.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6573   -6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6573   -4.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3717   -5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3717   -4.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2283   -6.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   -4.4332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8007   -4.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8007   -5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   -6.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0861   -6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3717   -7.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8006   -7.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0862   -3.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  1  7  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  6  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  1  6  0  0  0
M  END
> <ID>
CHEBI:63696

> <NAME>
gamma-curcumene

> <DEFINITION>
A sesquiterpene that is cyclohexa-1,3-diene which is substituted by a methyl group at position 1 and a 6-methylhept-5-en-2-yl group at position 4 (the R enantiomer).

> <STAR>
3

> <SYNONYM>
Gamma-curcumene

> <IUPAC_NAME>
1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

> <FORMULA>
C15H24

> <MASS>
204.35110

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
C[C@H](CCC=C(C)C)C1=CC=C(C)CC1

> <INCHI>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1

> <INCHIKEY>
NGIVKZGKEPRIGG-CQSZACIVSA-N

> <CAS_REGISTRY_NUMBER>
28976-68-3

> <REAXYS_REGISTRY_NUMBER>
5791040

> <METACYC_ACCESSION>
CPD-11393

> <NIST_CHEMISTRY_WEBBOOK>
28976-68-3

> <PUBMED_CITATION>
16970904

$$$$