LMFA01090030
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0     0  0            999 V2000
   12.2790    6.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1604    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2790    7.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6141    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7258    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    7.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9489    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0781    0.0000 Br  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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090030

> <COMMON_NAME>
7-bromo-5-heptynoic acid

> <SYSTEMATIC_NAME>
7-bromo-5-heptynoic acid

> <FORMULA>
C7H9O2Br

> <MASS>
203.98

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid

> <INCHI_KEY>
MEPYEDWQGLFULE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H9BrO2/c8-6-4-2-1-3-5-7(9)10/h1,3,5-6H2,(H,9,10)

> <SMILES>
C(CCCC#CCBr)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312953

> <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>
32630

> <CITATION>
-

$$$$