LMFA12000257
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0  0  0  0  0  0  0  0999 V2000
   16.0215    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1163    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2108    7.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3052    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3997    7.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4942    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5886    7.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774    7.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8719    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663    7.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    6.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4942    6.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5886    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4924    8.5786    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  2  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
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000257

> <COMMON_NAME>
7-Ethyl-4E-dodecen-6-one

> <SYSTEMATIC_NAME>
7-Ethyl-4E-dodecen-6-one

> <FORMULA>
C14H26O

> <MASS>
210.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OSINZOMCCVVWFZ-ZRDIBKRKSA-N

> <INCHI>
InChI=1S/C14H26O/c1-4-7-9-11-13(6-3)14(15)12-10-8-5-2/h10,12-13H,4-9,11H2,1-3H3/b12-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179499

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11658547

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$