LMFA12000050
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.4578    6.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7431    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    6.0317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4860    6.8880    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  8  1  0  0  0  0
  8  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000050

> <COMMON_NAME>
5-Methylheptan-2-one 

> <SYSTEMATIC_NAME>
5-Methylheptan-2-one 

> <FORMULA>
C8H16O

> <MASS>
128.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WYDAUGNQLUXTFB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195863

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
28965

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$