LMFA12000259
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   16.8953    7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9926    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0898    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1867    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2839    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3810    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5752    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6723    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8664    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635    6.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1867    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2839    8.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1852    8.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  4 14  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000259

> <COMMON_NAME>
5-Ethyl-2-tridecen-4-one

> <SYSTEMATIC_NAME>
5-Ethyl-2-tridecen-4-one

> <FORMULA>
C15H28O

> <MASS>
224.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YWCLNCPXAMMFQQ-LFYBBSHMSA-N

> <INCHI>
InChI=1S/C15H28O/c1-4-7-8-9-10-11-13-14(6-3)15(16)12-5-2/h5,12,14H,4,6-11,13H2,1-3H3/b12-5+

> <SMILES>
C/C=C/C(=O)C(CC)CCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11708388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$