LMFA12000258
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.9384    6.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1938    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4489    6.0343    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7040    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9591    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2143    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7245    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9795    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2347    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4897    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7449    5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1938    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4489    6.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1923    7.0711    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000258

> <COMMON_NAME>
3-Ethyltridecan-2-one

> <SYSTEMATIC_NAME>
3-Ethyltridecan-2-one

> <FORMULA>
C15H30O

> <MASS>
226.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OPZHSCZARXUPAR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(5-2)14(3)16/h15H,4-13H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169641

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10561241

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$