LMFA01060088
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0  0  0  0  0  0  0  0999 V2000
   13.1667    5.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9034    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667    6.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4245    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6821    5.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1972    5.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7123    5.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9698    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    5.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4849    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7425    5.4255    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
    5.7425    6.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060088

> <COMMON_NAME>
11-oxo-dodecanoic acid

> <SYSTEMATIC_NAME>
11-oxo-dodecanoic acid

> <FORMULA>
C12H22O3

> <MASS>
214.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTELGGYNGCBJGP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H2,1H3,(H,14,15)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180014

> <ABBREVIATION>
FA 12:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
547024

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$