LMFA12000002
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   12.1448    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    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
    9.2869    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
    7.8579    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
    6.4290    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
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    6.2374    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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA12000002

> <COMMON_NAME>
undecan-2-one

> <SYSTEMATIC_NAME>
undecan-2-one

> <FORMULA>
C11H22O

> <MASS>
170.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KYWIYKKSMDLRDC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

> <SMILES>
CC(=O)CCCCCCCCC

> <KEGG_ID>
C01875

> <HMDB_ID>
HMDB0033713

> <CHEBI_ID>
17700

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8163

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$