LMFA01090014
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   21.8438    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7139    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8438    7.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9673    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0905    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2136    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3367    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4599    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5830    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7063    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8294    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0757    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3219    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4451    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5682    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8145    6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.5633    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090014

> <COMMON_NAME>
18-bromo-octadecanoic acid

> <SYSTEMATIC_NAME>
18-bromo-octadecanoic acid

> <FORMULA>
C18H35O2Br

> <MASS>
362.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BSDAIZFMQYOAFY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H35BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187760

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312948

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$