Mrv0541 02261411062D          

 22 21  0  0  0  0            999 V2000
    3.0916   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482   -3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096   -5.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -5.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -4.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096   -3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096   -3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806   -3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951   -5.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4807   -5.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8061   -3.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2350   -3.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639   -3.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9495   -1.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9495   -2.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2338   -5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -5.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  2  0  0  0  0
 20 17  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:73731

> <NAME>
(11Z,14Z)-icosadienoic acid

> <DEFINITION>
An icosadienoic acid with double bonds at positions 11 and 14 (both Z).

> <STAR>
3

> <SYNONYM>
Eicosadienoic acid; 11,14-Icosadienoic acid; 11,14-Eicosadienoic acid; (11Z,14Z)-Icosa-11,14-dienoic acid; (11Z,14Z)-eicosadienoic acid; (11Z,14Z)-Eicosa-11,14-dienoic acid

> <IUPAC_NAME>
(11Z,14Z)-icosa-11,14-dienoic acid

> <FORMULA>
C20H36O2

> <MASS>
308.49860

> <MONOISOTOPIC_MASS>
308.27153

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-

> <INCHIKEY>
XSXIVVZCUAHUJO-HZJYTTRNSA-N

> <CAS_REGISTRY_NUMBER>
5598-38-9

> <REAXYS_REGISTRY_NUMBER>
1878109

> <CHEMIDPLUS>
5598-38-9

> <KEGG_COMPOUND_ACCESSION>
C16525

$$$$