LMFA12000237
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.0197    6.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2160    5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    6.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6080    5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040    6.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    7.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6080    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040    7.0196    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  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000237

> <COMMON_NAME>
4,5-Dimethyl-4-hexen-3-one

> <SYSTEMATIC_NAME>
4,5-Dimethyl-4-hexen-3-one

> <FORMULA>
C8H14O

> <MASS>
126.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDMNXIBTIAFPBU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3

> <SMILES>
CCC(=O)/C(/C)=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195683

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
519408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$