LMFA12000127
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
   10.4923    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    5.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9233    6.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1386    5.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540    6.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    5.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847    6.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9233    6.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1386    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    5.0000    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
  7  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000127

> <COMMON_NAME>
4,6-Dimethyloctan-3-one

> <SYSTEMATIC_NAME>
4,6-Dimethyloctan-3-one

> <FORMULA>
C10H20O

> <MASS>
156.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SDBZHZFEQMEFEN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20O/c1-5-8(3)7-9(4)10(11)6-2/h8-9H,5-7H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13834046

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$