LMFA12000022
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    8.1723    6.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    5.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863    6.1014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7931    5.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863    6.7482    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
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000022

> <COMMON_NAME>
3-Hydroxypentan-2-one 

> <SYSTEMATIC_NAME>
3-Hydroxypentan-2-one 

> <FORMULA>
C5H10O2

> <MASS>
102.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HDKKRASBPHFULQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031516

> <CHEBI_ID>
173350

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
62484

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$