LMFA12000416
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
   15.7767   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8409   -6.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9049   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9686   -6.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0326   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0965   -6.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1604   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8409   -7.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9686   -7.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0326   -5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9669   -5.1236    0.0000 C   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
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000416

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-ethylheptane-2,4-dione

> <FORMULA>
C9H16O2

> <MASS>
156.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTOINXDHRHCLLI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H16O2/c1-4-8(5-2)9(11)6-7(3)10/h8H,4-6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11491972

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$