LMFA12000029
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.9052    6.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    5.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    6.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621    5.6371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7811    6.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    6.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621    5.0000    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000029

> <COMMON_NAME>
4-Hydroxyhexan-3-one 

> <SYSTEMATIC_NAME>
4-Hydroxyhexan-3-one 

> <FORMULA>
C6H12O2

> <MASS>
116.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-Hydroxyhexan-4-one 

> <INCHI_KEY>
SKCYVGUCBRYGTE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3

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

> <KEGG_ID>
C02948

> <HMDB_ID>
-

> <CHEBI_ID>
18351

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
95609

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$