LMFA12000049
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    8.7624    5.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2576    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7525    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2576    6.0449    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
M  END
> <LM_ID>
LMFA12000049

> <COMMON_NAME>
Hexan-3-one

> <SYSTEMATIC_NAME>
Hexan-3-one

> <FORMULA>
C6H12O

> <MASS>
100.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PFCHFHIRKBAQGU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

> <SMILES>
CCC(=O)CCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000753

> <CHEBI_ID>
89891

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11509

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$