Mrv0541 05091415532D          

 24 23  0  0  0  0            999 V2000
    0.7701    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3438    0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293    0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0569    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3438    1.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0582    0.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -0.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701   -1.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7714    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859    0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2003    0.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9148    0.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  2  0  0  0  0
  2  1  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  4  1  0  0  0  0
M  END
> <ID>
CHEBI:75117

> <NAME>
(13Z,16Z)-docosadienoic acid

> <DEFINITION>
A docosadienoic acid having two cis-double bonds at position 13 and 16 respectively.

> <STAR>
3

> <SYNONYM>
cis-13,16 docosadienoic acid; C22:2n-6,9; 13Z,16Z-docosadienoic acid; (13Z,16Z)-Docosa-13,16-dienoic acid

> <IUPAC_NAME>
(13Z,16Z)-docosa-13,16-dienoic acid

> <FORMULA>
C22H40O2

> <MASS>
336.55180

> <MONOISOTOPIC_MASS>
336.30283

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-

> <INCHIKEY>
HVGRZDASOHMCSK-HZJYTTRNSA-N

> <REAXYS_REGISTRY_NUMBER>
1975535

> <KEGG_COMPOUND_ACCESSION>
C16533

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030405

$$$$