LMFA02000104
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   10.7156    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5736    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2880    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7171    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4316    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1461    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8606    6.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1461    7.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  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
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000104

> <COMMON_NAME>
14-HpODE

> <SYSTEMATIC_NAME>
14-hydroperoxy-9,12-octadecadienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UNIRNFOYQCHZDZ-QWPOMPHKSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h6,8,12,15,17,21H,2-5,7,9-11,13-14,16H2,1H3,(H,19,20)/b8-6+,15-12+

> <SMILES>
C(/C/C=C/C(OO)CCCC)=C\CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165780

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282860

> <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>
-

$$$$