LMFA01120007
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -2.1721   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9127   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7830   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6533   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5237   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3940   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2643   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1346   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0049   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8752   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7456   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6159   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4862   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3565   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2268   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9588    0.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    0.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -0.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6659    1.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0928    1.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  7 17  1  0     0  0
  1 18  2  0     0  0
  1 19  1  0     0  0
 17 20  1  0     0  0
 17 21  2  0     0  0
M  CHG  2  17   1  20  -1
M  END
> <LM_ID>
LMFA01120007

> <COMMON_NAME>
Dinor-7-NO2-CLA

> <SYSTEMATIC_NAME>
7-nitro-7Z,9E-hexadecadienoic acid

> <FORMULA>
C16H27NO4

> <MASS>
297.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Nitro fatty acids [FA0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LQLPBMSWEIRISV-KDFHGORWSA-N

> <INCHI>
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-9-12-15(17(20)21)13-10-8-11-14-16(18)19/h7,9,12H,2-6,8,10-11,13-14H2,1H3,(H,18,19)/b9-7+,15-12+

> <SMILES>
C(O)(=O)CCCCC/C(/[N+](=O)[O-])=C\C=C\CCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187079

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118701779

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$