LMFA01090006
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   15.9593    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8523    6.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9593    7.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1599    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2599    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4600    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5602    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6602    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7603    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    7.3100    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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090006

> <COMMON_NAME>
11-bromo-dodecanoic acid

> <SYSTEMATIC_NAME>
11-bromo-dodecanoic acid

> <FORMULA>
C12H23O2Br

> <MASS>
278.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YHYSFJBAAMODHY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H23BrO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)

> <SMILES>
C(CCCCCCCCCC(Br)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312945

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$