LMFA05000540
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  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
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    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
    8.5724    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  6  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <LM_ID>
LMFA05000540

> <COMMON_NAME>
3-mercaptohexyl acetate

> <SYSTEMATIC_NAME>
3-thiohexyl acetate

> <FORMULA>
C8H16O2S

> <MASS>
176.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JUCARGIKESIVLB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3

> <SMILES>
CCCC(S)CCOC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038920

> <CHEBI_ID>
77818

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
518810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$