LMFA01090062
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0  0  0  0  0999 V2000
   13.6026    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3140    5.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6026    7.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8861    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1691    6.2321    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4522    5.8214    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7353    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0184    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5846    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8677    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1508    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1691    7.0535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4522    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
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090062

> <COMMON_NAME>
3,4-dichloro-tridecanoic acid

> <SYSTEMATIC_NAME>
3,4-dichloro-tridecanoic acid

> <FORMULA>
C13H24Cl2O2

> <MASS>
282.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13:0(3Cl,4Cl)

> <INCHI_KEY>
LVHXZABYFGYKLF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-11(14)12(15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)

> <SMILES>
C(CC(Cl)C(Cl)CCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180455

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8023

> <CITATION>
11958814

$$$$