LMFA01090082
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    8.5853    7.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2970    6.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5853    7.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8686    6.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514    7.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343    6.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7171    7.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8686    5.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2842    5.2475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4529    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
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090082

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

> <SYSTEMATIC_NAME>
2-(dibromomethylene)hexanoic acid

> <FORMULA>
C7H10Br2O2

> <MASS>
283.90

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,3-Dibromo-2-butylpropenoic acid

> <INCHI_KEY>
UCMKMXBMPRBGRH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H10Br2O2/c1-2-3-4-5(6(8)9)7(10)11/h2-4H2,1H3,(H,10,11)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155301

> <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

$$$$