LMFA12000011
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
   10.2009    5.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4581    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7151    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4861    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7151    6.2791    0.0000 O   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
  7  8  1  0  0  0  0
  3  9  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000011

> <COMMON_NAME>
1-Octen-3-one

> <SYSTEMATIC_NAME>
1-Octen-3-one

> <FORMULA>
C8H14O

> <MASS>
126.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KLTVSWGXIAYTHO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031309

> <CHEBI_ID>
88900

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61346

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$