LMFA01090005
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   15.7610    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6360    6.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7610    7.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8795    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9976    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1157    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2338    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4700    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5882    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    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
M  END
> <LM_ID>
LMFA01090005

> <COMMON_NAME>
11-bromo-undecanoic acid

> <SYSTEMATIC_NAME>
11-bromo-undecanoic acid

> <FORMULA>
C11H21O2Br

> <MASS>
264.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IUDGNRWYNOEIKF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)

> <SMILES>
C(CCCCCCCCCCBr)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176862

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
17812

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$