LMFA12000172
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   13.7876    5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0556    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3232    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8586    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1263    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3939    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6616    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1970    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4646    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7323    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3232    6.0168    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  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000172

> <COMMON_NAME>
Tridecan-3-one

> <SYSTEMATIC_NAME>
Tridecan-3-one

> <FORMULA>
C13H26O

> <MASS>
198.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZDIXOWNDGFVYNK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3

> <SMILES>
CCC(=O)CCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73751

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$