LMFA12000414
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
   15.2580   -6.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3367   -7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4153   -6.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4932   -7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718   -6.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6503   -7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285   -6.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4932   -7.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718   -5.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3227   -5.0339    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000414

> <COMMON_NAME>


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

> <FORMULA>
C9H16O

> <MASS>
140.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSXDTHULENTPKK-QPJJXVBHSA-N

> <INCHI>
InChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h4,7-8H,5-6H2,1-3H3/b7-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11557303

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8499

> <CITATION>
16792401

$$$$