LMFA01050242
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.9549    6.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7205    5.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9549    7.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1837    5.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4121    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    5.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8690    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0975    5.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    6.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0975    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  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
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050242

> <COMMON_NAME>
6,7-dihydroxy-4-oxo-2-heptenoic acid

> <SYSTEMATIC_NAME>
6,7-dihydroxy-4-oxo-2-heptenoic acid

> <FORMULA>
C7H10O5

> <MASS>
174.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Heptenoic acid, 6,7-dihydroxy-4-oxo-

> <INCHI_KEY>
HBKNKDDAXCBQRH-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C7H10O5/c8-4-6(10)3-5(9)1-2-7(11)12/h1-2,6,8,10H,3-4H2,(H,11,12)/b2-1+

> <SMILES>
C(/C=C/C(=O)CC(O)CO)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180161

> <ABBREVIATION>
FA 7:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312796

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$