LMFA01090060
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   15.7508    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4621    5.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7508    7.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0344    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3177    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6009    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8842    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    6.2318    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7340    5.8212    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0172    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3005    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5837    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8669    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7168    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.0531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090060

> <COMMON_NAME>
7,8-dichloro-hexadecanoic acid

> <SYSTEMATIC_NAME>
7,8-dichloro-hexadecanoic acid

> <FORMULA>
C16H30Cl2O2

> <MASS>
324.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16:0(7Cl,8Cl)

> <INCHI_KEY>
IWIVTQOROAIDTG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-8-11-14(17)15(18)12-9-7-10-13-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187821

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14550262

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7936

> <CITATION>
11958814

$$$$