LMFA12000096
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.6335    6.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8615    5.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0892    6.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    5.8775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5446    6.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723    5.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0892    6.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  3  8  2  0  0  0  0
  4  9  1  1  0  0  0
M  END
> <LM_ID>
LMFA12000096

> <COMMON_NAME>
4S-methyl-1-hepten-3-one

> <SYSTEMATIC_NAME>
4S-methyl-1-hepten-3-one

> <FORMULA>
C8H14O

> <MASS>
126.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
(S)-4-Methyl-1-hepten-3-one

> <INCHI_KEY>
FMZDFRXBZBPNSU-ZETCQYMHSA-N

> <INCHI>
InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h5,7H,2,4,6H2,1,3H3/t7-/m0/s1

> <SMILES>
C=CC(=O)[C@@H](C)CCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195687

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44138172

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$