Marvin  10171211142D          

 18 19  0  0  0  0            999 V2000
   -1.3011  -20.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740  -20.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809  -19.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138  -19.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440  -19.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333  -19.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579  -19.9041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690  -19.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8455  -19.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8203  -20.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283  -20.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786  -18.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7438  -19.8092    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425  -21.2608    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936  -21.3048    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7519  -21.3629    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4726  -20.8599    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5274  -19.0658    0.0000 Cl  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  3 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2 14  1  0  0  0  0
  6  7  1  0  0  0  0
  1 15  1  0  0  0  0
  7  8  1  0  0  0  0
 11 16  1  0  0  0  0
  3  4  2  0  0  0  0
 10 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
> <ID>
CHEBI:66615

> <NAME>
neopyrrolomycin B

> <DEFINITION>
A member of the class of trichlorophenols that is 3,4,5-trichlorophenol substituted by a 2,3,4-trichloro-1H-pyrrolyl moiety at position 2. It is isolated from the fermentation broth of Streptomyces and exbits broad-spectrum antibacterial activity against a panel of pathogens including variety of drug-susceptible and drug-resistant phenotypes.

> <STAR>
3

> <IUPAC_NAME>
3,4,5-trichloro-2-(2,3,4-trichloro-1H-pyrrol-1-yl)phenol

> <FORMULA>
C10H3Cl6NO

> <MASS>
365.85500

> <MONOISOTOPIC_MASS>
362.83458

> <CHARGE>
0

> <SMILES>
Oc1cc(Cl)c(Cl)c(Cl)c1-n1cc(Cl)c(Cl)c1Cl

> <INCHI>
InChI=1S/C10H3Cl6NO/c11-3-1-5(18)9(8(15)6(3)13)17-2-4(12)7(14)10(17)16/h1-2,18H

> <INCHIKEY>
NTKHEOJBPXFULD-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
19103289

> <PUBMED_CITATION>
19191549

$$$$