LMFA12000419
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
   15.6980   -6.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7819   -6.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8655   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9489   -6.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0327   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1161   -6.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1997   -6.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7819   -7.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8655   -5.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7800   -5.1510    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
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000419

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Ethylheptan-2-one

> <FORMULA>
C9H18O

> <MASS>
142.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PPKSOKLRYCVQPM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O/c1-4-6-7-9(5-2)8(3)10/h9H,4-7H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
110786

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$