LMFA01090079
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.3725    6.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0957    5.8599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9153    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1865    6.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7288    6.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3599    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  2  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
  5 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090079

> <COMMON_NAME>
3-bromo-2E-heptenoic acid

> <SYSTEMATIC_NAME>
3-bromo-2E-heptenoic acid

> <FORMULA>
C7H11BrO2

> <MASS>
205.99

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZWQSWMXYEPWSRT-AATRIKPKSA-N

> <INCHI>
InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935814

> <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

$$$$