LMFA12000100
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.6334    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8614    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
    8.8614    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    5.0000    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  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000100

> <COMMON_NAME>
2-Methylheptan-4-one

> <SYSTEMATIC_NAME>
2-Methylheptan-4-one

> <FORMULA>
C8H16O

> <MASS>
128.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AKRJXOYALOGLHQ-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
69378

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$