Mrv0541 09181411122D          

 20 19  0  0  0  0            999 V2000
    3.5429   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2574   -2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2589   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5444   -2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8299   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154   -2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4009   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864   -2.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2589   -1.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9734   -2.7529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5429   -1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573   -1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573   -0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153   -0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298    0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443   -0.2777    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
  4  5  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
M  END
> <ID>
CHEBI:82984

> <NAME>
linoleamide

> <DEFINITION>
A fatty amide obtained from  linoleic acid.

> <STAR>
3

> <SYNONYM>
linoleoyl amide; Linoleic acid amide; 9,12-Octadecadienamide; (9Z,12Z)-octadecadienamide

> <IUPAC_NAME>
(9Z,12Z)-octadeca-9,12-dienamide

> <FORMULA>
C18H33NO

> <MASS>
279.46070

> <MONOISOTOPIC_MASS>
279.25621

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/CCCCCCCC(N)=O

> <INCHI>
InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-

> <INCHIKEY>
SFIHQZFZMWZOJV-HZJYTTRNSA-N

> <CAS_REGISTRY_NUMBER>
3072-13-7

> <REAXYS_REGISTRY_NUMBER>
1727099

> <CHEMIDPLUS>
3072-13-7

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA08010008

> <PUBMED_CITATION>
11212875; 2558585

$$$$