LMFA12000248
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   15.1461    7.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379    6.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3293    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4206    6.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5122    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6035    6.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7865    6.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9692    6.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3293    8.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2360    8.5868    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
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000248

> <COMMON_NAME>
3-Ethylundecan-2-one

> <SYSTEMATIC_NAME>
3-Ethylundecan-2-one

> <FORMULA>
C13H26O

> <MASS>
198.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HYCPVYXYSLXCQN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H26O/c1-4-6-7-8-9-10-11-13(5-2)12(3)14/h13H,4-11H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936236

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$