54611954
  CDK     0813212310

 17 16  0  0  0  0  0  0  0  0999 V2000
    5.9369    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 15  2  0  0  0  0 
  3 16  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:177688

> <NAME>
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate

> <STAR>
2

> <IUPAC_NAME>
[(2Z)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate

> <FORMULA>
C14H22O3

> <MASS>
238.327

> <MONOISOTOPIC_MASS>
238.15689

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8-

> <INCHIKEY>
RYILZWKGLGVPOC-WQLSENKSSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010896

$$$$