638500
  CDK     1202211637

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.0790    0.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6529    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 18  2  0  0  0  0 
  3  5  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 11 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:186251

> <NAME>
3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate

> <STAR>
2

> <IUPAC_NAME>
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate

> <FORMULA>
C17H28O2

> <MASS>
264.409

> <MONOISOTOPIC_MASS>
264.20893

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+

> <INCHIKEY>
ZGIGZINMAOQWLX-NCZFFCEISA-N

> <CAS_REGISTRY_NUMBER>
4128-17-0

> <CHEMIDPLUS>
4128-17-0

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA07010230

$$$$