LMFA01090061
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   14.3187    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0301    5.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    7.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6022    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8854    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1685    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517    6.2320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7348    5.8213    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0179    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3012    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5843    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8674    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1506    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    6.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517    7.0534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090061

> <COMMON_NAME>
5,6-dichloro-tetradecanoic acid

> <SYSTEMATIC_NAME>
5,6-dichloro-tetradecanoic acid

> <FORMULA>
C14H26Cl2O2

> <MASS>
296.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
14:0(5Cl,6Cl)

> <INCHI_KEY>
MBWXQZXGUAFIDF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H26Cl2O2/c1-2-3-4-5-6-7-9-12(15)13(16)10-8-11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)

> <SMILES>
C(CCCC(Cl)C(Cl)CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187007

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54064333

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6550

> <CITATION>
11958814

$$$$