LMFA01090083
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   10.0181    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7295    6.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0181    7.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5846    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8677    6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1507    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4338    6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7168    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    5.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173    5.2475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    5.2475    0.0000 Br  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
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090083

> <COMMON_NAME>
3,3-Dibromo-2-n-hexylacrylic acid

> <SYSTEMATIC_NAME>
2-(dibromomethylene)octanoic acid

> <FORMULA>
C9H14Br2O2

> <MASS>
311.94

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MFKDPSRYICTYKE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H14Br2O2/c1-2-3-4-5-6-7(8(10)11)9(12)13/h2-6H2,1H3,(H,12,13)

> <SMILES>
C(/C(=C(\Br)/Br)/CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935816

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
31369

> <CITATION>
11958814

$$$$