LMFA01090009
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   15.9591    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8520    6.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9591    8.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1597    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2597    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3599    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5600    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6602    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7602    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603    7.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596    6.0605    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
  4 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090009

> <COMMON_NAME>
2-bromo-dodecanoic acid

> <SYSTEMATIC_NAME>
2-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>
HXKXBCBZXXQPPD-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
66980

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$