LMFA12000335
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2979    5.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    5.9959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  5  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA12000335

> <COMMON_NAME>
4-Mercapto-4-methylpentan-2-one

> <SYSTEMATIC_NAME>
4-Mercapto-4-methylpentan-2-one

> <FORMULA>
C6H12OS

> <MASS>
132.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QRNZMFDCKKEPSX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031519

> <CHEBI_ID>
77856

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
88290

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$