CDK     1018121545

 17 18  0  0  0  0  0  0  0  0999 V2000
   11.9473    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9461   -0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3773   -0.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6591    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0850    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8726    0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3503    1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8581    1.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0765    1.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6567    1.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1045    2.6639    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.1751    1.2235    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.1363   -0.2397    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.6607   -1.6942    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.2328    0.7831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11  7  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6 12  1  0  0  0  0 
  6  1  1  0  0  0  0 
 10 13  1  0  0  0  0 
  7  8  2  0  0  0  0 
  9 14  1  0  0  0  0 
  1  2  2  0  0  0  0 
  8 15  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3 16  1  0  0  0  0 
  1 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:70619

> <NAME>
pentabromopseudilin

> <DEFINITION>
A natural product found  particularly in Pseudoalteromonas species and Chromobacterium species. 

> <STAR>
2

> <SYNONYM>
2,4-Dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol

> <FORMULA>
C10H4Br5NO

> <MASS>
553.66500

> <MONOISOTOPIC_MASS>
548.62098

> <CHARGE>
0

> <SMILES>
Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br

> <INCHI>
InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H

> <INCHIKEY>
LXMNWKJHYOZUQL-UHFFFAOYSA-N

> <PUBMED_CITATION>
20973551

$$$$