LMFA12000249
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   12.6761    6.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9087    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411    6.0659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3734    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6059    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8383    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0706    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7677    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9087    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411    6.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    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
  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
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
  4 14  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000249

> <COMMON_NAME>
3-Ethylundecan-2,4-dione

> <SYSTEMATIC_NAME>
3-Ethylundecan-2,4-dione

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BKGWAHFRRDOJBN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(14)10(2)11(3)13/h10H,4-9H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179198

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20526862

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$