LMFA01120003
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0  0  0  0  0999 V2000
   14.2883   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0028   10.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2883   11.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8593   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725   10.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    9.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434   10.6101    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1434   11.4352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289   10.1977    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
> <LM_ID>
LMFA01120003

> <COMMON_NAME>
10-nitro-9E-octadecenoic acid

> <SYSTEMATIC_NAME>
10-nitro-9E-octadecenoic acid

> <FORMULA>
C18H33NO4

> <MASS>
327.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Nitro fatty acids [FA0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WRADPCFZZWXOTI-BMRADRMJSA-N

> <INCHI>
InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+

> <SMILES>
C(CCCCCCC/C=C(/[N+]([O-])=O)\CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062737

> <CHEBI_ID>
86285

> <ABBREVIATION>
-

> <CAYMAN_ID>
10008043

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24836820

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$