LMFA03050031
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
    7.8732    9.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767    9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6804    9.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838    9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4873    9.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3520    9.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4873   10.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    7.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5677    7.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4268    7.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2859    7.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1449    7.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0041    7.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8631    7.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7223    7.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4268    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7596    8.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    8.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817    9.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  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
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
 10 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
  1 20  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050031

> <COMMON_NAME>
12-KHT

> <SYSTEMATIC_NAME>
12-oxo-5Z,8E,10E-heptadecatrienoic acid

> <FORMULA>
C17H26O3

> <MASS>
278.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-oxoHT

> <INCHI_KEY>
BEHRKNVAYQNKGG-FQWDWNLFSA-N

> <INCHI>
InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+

> <SMILES>
C(=C/C/C=C/C=C/C(=O)CCCCC)/CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 17:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9925634

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20671299

$$$$