LMFA01090008
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   16.6307    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6307    7.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7502    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8693    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9885    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2267    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4650    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5841    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9416    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.5656    0.0000 Cl  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
 14 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090008

> <COMMON_NAME>
12-chloro-dodecanoic acid

> <SYSTEMATIC_NAME>
12-chloro-dodecanoic acid

> <FORMULA>
C12H23O2Cl

> <MASS>
234.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSQLFBKZQRLUFP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H23ClO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137751

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
381109

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$