LMFA01090117
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
   11.7173    5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    5.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7173    6.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0129    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3082    5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6035    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8987    5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1940    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893    5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7846    5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    6.5693    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    5.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    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
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090117

> <COMMON_NAME>
9,9-dibromo-8-nonenoic acid

> <SYSTEMATIC_NAME>
9,9-dibromo-8-nonenoic 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>
VKDBKWUDZFGRDB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H14Br2O2/c10-8(11)6-4-2-1-3-5-7-9(12)13/h6H,1-5,7H2,(H,12,13)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13846151

> <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>
2627677

> <CITATION>
11958814

$$$$