LMFA12000054
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
   10.2008    6.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4580    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7151    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4580    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
  7  8  1  0  0  0  0
  2  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000054

> <COMMON_NAME>
Octan-2-one 

> <SYSTEMATIC_NAME>
Octan-2-one 

> <FORMULA>
C8H16O

> <MASS>
128.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

> <SMILES>
CC(=O)CCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031294

> <CHEBI_ID>
87434

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8093

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$