6450502
  CDK     0910211424

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.7935    1.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:179190

> <NAME>
(Z)-2-Nonenyl propionate

> <STAR>
2

> <IUPAC_NAME>
[(Z)-non-2-enyl] propanoate

> <FORMULA>
C12H22O2

> <MASS>
198.306

> <MONOISOTOPIC_MASS>
198.16198

> <CHARGE>
0

> <SMILES>
O(C/C=C\CCCCCC)C(=O)CC

> <INCHI>
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3/b10-9-

> <INCHIKEY>
FFZSUDLXHLWPMI-KTKRTIGZSA-N

> <CAS_REGISTRY_NUMBER>
94109-98-5

> <CHEMIDPLUS>
94109-98-5

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010630

$$$$