LMFA01060043
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   10.7155    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4300    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5736    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5736    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0000    0.0000 O   0  0  0  0  0  0  0  0  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
  5  7  2  0  0  0  0
  2  1  1  0  0  0  0
  1  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
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060043

> <COMMON_NAME>
12-keto tridecanoic acid

> <SYSTEMATIC_NAME>
12-oxo-tridecanoic acid

> <FORMULA>
C13H24O3

> <MASS>
228.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NRVDTUOVKXZNCW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)

> <SMILES>
C(CCCCCCC(=O)C)CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185248

> <ABBREVIATION>
FA 13:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
75363

> <LIPIDBANK_ID>
DFA0427

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$