LMFA12000003
  LIPID_MAPS_STRUCTURE_DATABASE

  6  5  0  0  0  0  0  0  0  0999 V2000
    6.4436    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1635    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8834    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1635    6.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000003

> <COMMON_NAME>
pentan-2-one

> <SYSTEMATIC_NAME>
pentan-2-one

> <FORMULA>
C5H10O

> <MASS>
86.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XNLICIUVMPYHGG-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C01949

> <HMDB_ID>
HMDB0034235

> <CHEBI_ID>
16472

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7895

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$