KEGG   COMPOUND: C07203Help
Entry
C07203                      Compound                               
Name
Metronidazole
Formula
C6H9N3O3
Exact mass
171.0644
Mol weight
171.154
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C07203  Metronidazole
BRITE hierarchy
Other DBs
CAS: 
443-48-1
PubChem: 
PDB-CCD: 
KCF data Show

ATOM        12
            1   N4y N    22.2483  -16.2228
            2   C8y C    21.8345  -17.4879
            3   C8y C    21.1640  -15.4301
            4   C1b C    23.3153  -15.5992
            5   C8x C    20.5053  -17.4879
            6   N2b N    22.6157  -18.5665 #+
            7   N5x N    20.0855  -16.2228
            8   C1a C    21.1640  -14.1009
            9   C1b C    24.3995  -16.2812
            10  O3a O    23.7875  -19.7150
            11  O3a O    21.1582  -19.7207 #-
            12  O1a O    25.6763  -15.5992
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 2
            10    6  11 1
            11    9  12 1
            12    5   7 1

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