LMFA12000245
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.6335    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8615    5.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0892    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    5.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723    5.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8615    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    6.7023    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
  2  8  2  0  0  0  0
  5  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000245

> <COMMON_NAME>
Heptan-2,5-dione

> <SYSTEMATIC_NAME>
Heptan-2,5-dione

> <FORMULA>
C7H12O2

> <MASS>
128.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HGRGPAAXHOTBAM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179466

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15559

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$