LMFA01120006
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4318   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318    0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1346   -0.2494    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
  -10.4401    0.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7330    1.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3061    1.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  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  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 14 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
M  CHG  2  21   1  23  -1
M  END
> <LM_ID>
LMFA01120006

> <COMMON_NAME>
12-NO2-CLA

> <SYSTEMATIC_NAME>
12-nitro-9E,11Z-octadecadienoic acid

> <FORMULA>
C18H31NO4

> <MASS>
325.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Nitro fatty acids [FA0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
187237

> <CAYMAN_ID>
30834

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118701778

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01120006

$$$$