LMFA12000083
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.5791    6.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4317    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    6.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8635    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8635    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476    6.2351    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1476    7.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000083

> <COMMON_NAME>
3-Methylhexan-2-one

> <SYSTEMATIC_NAME>
3-Methylhexan-2-one

> <FORMULA>
C7H14O

> <MASS>
114.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GYWYASONLSQZBB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195744

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102846

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$