LMFA12000418
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   16.5752   -6.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6670   -6.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7584   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8497   -6.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9413   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0326   -6.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2156   -6.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3069   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6670   -7.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7584   -5.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6651   -5.1619    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
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000418

> <COMMON_NAME>
3-Ethylnonan-2-one

> <SYSTEMATIC_NAME>
3-Ethyl-2-nonanone

> <FORMULA>
C11H22O

> <MASS>
170.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MDEKWAMTZCERKO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O/c1-4-6-7-8-9-11(5-2)10(3)12/h11H,4-9H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23288860

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$