LMFA01060174
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.2868    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.0724    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
    8.5723    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  2  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060174

> <COMMON_NAME>
2-Oxo-4E-hexenoic acid

> <SYSTEMATIC_NAME>
2-Oxo-4E-hexenoic acid

> <FORMULA>
C6H8O3

> <MASS>
128.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4E)-2-Oxohexenoic acid

> <INCHI_KEY>
XGNKMQBCAVIQOR-NSCUHMNNSA-N

> <INCHI>
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/b3-2+

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

> <KEGG_ID>
C06761

> <HMDB_ID>
-

> <CHEBI_ID>
28998

> <ABBREVIATION>
FA 6:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280996

> <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>
-

$$$$