LMFA01060228
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6434   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5121   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3809   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370   -1.7465    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  2  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
  6 12  2  0     0  0
M  END
> <LM_ID>
LMFA01060228

> <COMMON_NAME>
4-oxo-2E-nonenoic acid

> <SYSTEMATIC_NAME>
4-oxo-2E-nonenoic acid

> <FORMULA>
C9H14O3

> <MASS>
170.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QHYBPAALYZNWPK-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-7H,2-5H2,1H3,(H,11,12)/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 9:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6293976

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
47716

> <CITATION>
8823520

$$$$