LMFA01090003
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
   14.2104    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1088    6.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2104    8.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3051    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3996    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4940    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6829    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7773    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8717    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3051    6.0607    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
  4 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090003

> <COMMON_NAME>
2-bromo-decanoic acid

> <SYSTEMATIC_NAME>
2-bromo-decanoic acid

> <FORMULA>
C10H19O2Br

> <MASS>
250.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KNLOTZNPRIFUAR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72820

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
98310

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$