KEGG   COMPOUND: C19170Help
Entry
C19170                      Compound                               

Name
Chlorozotocin
Formula
C9H16ClN3O7
Exact mass
313.0677
Mol weight
313.6922
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 2A: Probably carcinogenic to humans
  Compounds
   C19170  Chlorozotocin
BRITE hierarchy
Other DBs
CAS: 
54749-90-5
PubChem: 
ChEBI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   X   Cl   11.8300  -17.2900
            2   C1b C    13.0424  -16.5900
            3   C1b C    14.2549  -17.2900
            4   N1c N    15.4673  -16.5900
            5   C5a C    16.6797  -17.2900
            6   N1b N    17.8922  -16.5900
            7   C1c C    19.1046  -17.2900
            8   C1c C    20.3170  -16.5900
            9   C1c C    21.5295  -17.2900
            10  C1c C    22.7419  -16.5900
            11  N2b N    15.4673  -15.1900
            12  O3a O    14.2569  -14.4912
            13  O5a O    16.6797  -18.6899
            14  C4a C    19.1046  -18.6900
            15  O4a O    20.3211  -19.3923
            16  O1a O    20.3170  -15.1901
            17  O1a O    21.5295  -18.6897
            18  C1b C    23.9604  -17.2935
            19  O1a O    25.1589  -16.6014
            20  O1a O    22.7419  -15.1900
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    4  11 1
            11   11  12 2
            12    5  13 2
            13    7  14 1 #Down
            14   14  15 2
            15    8  16 1 #Up
            16    9  17 1 #Up
            17   10  18 1
            18   18  19 1
            19   10  20 1 #Down

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