LMFA12000080
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.9052    6.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    6.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7811    6.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433    6.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622    5.2475    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
M  END
> <LM_ID>
LMFA12000080

> <COMMON_NAME>
4-Methyl-4E-hexen-3-one

> <SYSTEMATIC_NAME>
4-Methyl-4E-hexen-3-one

> <FORMULA>
C7H12O

> <MASS>
112.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LJQNVNNQRWKTJP-GQCTYLIASA-N

> <INCHI>
InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195665

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5364719

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$