LMFA12000118
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    9.4820    6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7353    5.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9882    6.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    5.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4941    6.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    5.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    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
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000118

> <COMMON_NAME>
Heptan-4-one

> <SYSTEMATIC_NAME>
Heptan-4-one

> <FORMULA>
C7H14O

> <MASS>
114.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HCFAJYNVAYBARA-UHFFFAOYSA-N

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

> <SMILES>
CCCC(=O)CCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0004814

> <CHEBI_ID>
89484

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
31246

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$