LMFA12000126
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
   10.3588    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5935    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    6.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0624    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968    6.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5312    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656    6.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5935    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    6.6875    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
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000126

> <COMMON_NAME>
3-Methyloctan-2-one

> <SYSTEMATIC_NAME>
3-Methyloctan-2-one

> <FORMULA>
C9H18O

> <MASS>
142.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XSWHAOGCTCBDIT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O/c1-4-5-6-7-8(2)9(3)10/h8H,4-7H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179614

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22511

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$