LMFA01030676
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   22.2470    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1228    6.1594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2470    7.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3646    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4818    6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5990    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7163    6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8335    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9507    6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0679    7.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1852    7.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3024    7.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4196    7.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5369    7.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6541    7.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    7.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8885    7.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0058    6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1230    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2402    6.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3575    6.1590    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030676

> <COMMON_NAME>
18-bromo-9Z,17E-Octadecadiene-7,15-diynoic acid

> <SYSTEMATIC_NAME>
18-bromo-9Z,17E-Octadecadiene-7,15-diynoic acid

> <FORMULA>
C18H23O2Br

> <MASS>
350.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PKRHWWLSHFMWNA-JWAPFZNZSA-N

> <INCHI>
InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,15,17H,3,5,7-10,12,14,16H2,(H,20,21)/b2-1-,17-15+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543591

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Halogenated fatty acids [FA0109]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$