LMFA01060156
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.4006    6.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1661    5.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006    6.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6293    5.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578    6.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862    5.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3147    6.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431    5.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7716    6.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7716    6.7006    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  1  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
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060156

> <COMMON_NAME>
4,7-dioxo-octanoic acid

> <SYSTEMATIC_NAME>
4,7-dioxo-octanoic acid

> <FORMULA>
C8H12O4

> <MASS>
172.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTSAPRTVUVUNGB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)

> <SMILES>
C(CCC(=O)CCC(=O)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73742

> <ABBREVIATION>
FA 8:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
244084

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$