LMFA01060003
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2374    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
  4  6  2  0  0  0  0
  2  7  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060003

> <COMMON_NAME>
Acetoacetic acid

> <SYSTEMATIC_NAME>
3-oxo-butanoic acid

> <FORMULA>
C4H6O3

> <MASS>
102.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
beta-ketobutyric acid

> <INCHI_KEY>
WDJHALXBUFZDSR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)

> <SMILES>
CC(=O)CC(=O)O

> <KEGG_ID>
C00164

> <HMDB_ID>
HMDB0000060

> <CHEBI_ID>
15344

> <ABBREVIATION>
FA 4:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000867

> <PUBCHEM_COMPOUND_ID>
96

> <LIPIDBANK_ID>
DFA0387

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$