LMFA12000047
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    9.4822    5.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9883    5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9883    6.0373    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
  6  7  1  0  0  0  0
  3  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000047

> <COMMON_NAME>
Heptan-3-one

> <SYSTEMATIC_NAME>
Heptan-3-one

> <FORMULA>
C7H14O

> <MASS>
114.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NGAZZOYFWWSOGK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3

> <SMILES>
CCC(=O)CCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031482

> <CHEBI_ID>
50139

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7802

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$