LMFA12000081
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.7989    6.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0394    5.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2795    6.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5197    5.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0394    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7598    6.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930    6.8313    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  7  1  0  0  0  0
  7  5  1  0  0  0  0
  2  6  2  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000081

> <COMMON_NAME>
2,5-Hexanedione

> <SYSTEMATIC_NAME>
2,5-Hexanedione

> <FORMULA>
C6H10O2

> <MASS>
114.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OJVAMHKKJGICOG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
85014

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8035

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$