LMFA12000001
  LIPID_MAPS_STRUCTURE_DATABASE

  6  5  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276    5.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2914    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    5.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276    6.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  3  6  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000001

> <COMMON_NAME>
pentan-3-one

> <SYSTEMATIC_NAME>
pentan-3-one

> <FORMULA>
C5H10O

> <MASS>
86.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FDPIMTJIUBPUKL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

> <SMILES>
CCC(=O)CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
87755

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7288

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$