LMFA12000412
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   16.1371   -9.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2253  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3132   -9.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4006  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4887   -9.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5765  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6642   -9.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7520  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399   -9.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4006  -10.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4887   -8.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2319   -8.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000412

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-Ethyl-2E-nonen-4-one

> <FORMULA>
C11H20O

> <MASS>
168.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PZVVKXFLWXFMRH-VMPITWQZSA-N

> <INCHI>
InChI=1S/C11H20O/c1-4-7-9-10(6-3)11(12)8-5-2/h5,8,10H,4,6-7,9H2,1-3H3/b8-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102177493

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$