LMFA12000066
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.3355    6.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572    5.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    6.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5356    6.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000066

> <COMMON_NAME>
3-Hydroxy-3-methylbutan-2-one

> <SYSTEMATIC_NAME>
3-Hydroxy-3-methylbutan-2-one

> <FORMULA>
C5H10O2

> <MASS>
102.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNDRWEVUODOUDW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179407

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8261

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$