Mrv0541 01091512232D          

 11 10  0  0  0  0            999 V2000
    1.2636   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5968   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3117   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0483   -2.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7633   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5968   -1.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <ID>
CHEBI:84218

> <NAME>
(4E)-7-methyldec-4-ene

> <DEFINITION>
An alkene that is (4E)-dec-4-ene with a methyl group at position 7. Metabolite observed in cancer metabolism.

> <STAR>
3

> <IUPAC_NAME>
(4E)-7-methyldec-4-ene

> <FORMULA>
C11H22

> <MASS>
154.29240

> <MONOISOTOPIC_MASS>
154.17215

> <CHARGE>
0

> <SMILES>
CCC\C=C\CC(C)CCC

> <INCHI>
InChI=1S/C11H22/c1-4-6-7-8-10-11(3)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+

> <INCHIKEY>
LSQRJOWUMYWNHV-BQYQJAHWSA-N

> <REAXYS_REGISTRY_NUMBER>
11298337

> <PUBMED_CITATION>
25518943

$$$$