KEGG   COMPOUND: C11319
Entry
C11319                      Compound                               
Name
3,5-Dinitrosalicylic acid
Formula
C7H4N2O7
Exact mass
228.0019
Mol weight
228.1159
Structure
Other DBs
CAS: 609-99-4
PubChem: 13494
ChEBI: 53648
NIKKAJI: J208.324H
KCF data

ATOM        16
            1   C8y C    28.1447  -18.4653
            2   C8y C    29.3409  -19.2041
            3   C8x C    26.8787  -19.2322
            4   C6a C    28.1447  -17.1131
            5   C8y C    29.3409  -20.6575
            6   O1a O    30.6218  -18.4653
            7   C8y C    26.8787  -20.6038
            8   O6a O    29.3186  -16.3730
            9   O6a O    26.9485  -16.4384
            10  C8x C    28.0970  -21.3173
            11  N2b N    30.4823  -21.3556 #+
            12  N2b N    25.6825  -21.2147 #+
            13  O3a O    31.9971  -20.6575
            14  O3a O    30.4823  -22.7809 #-
            15  O3a O    25.6721  -22.5831
            16  O3a O    24.4236  -20.5073 #-
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    7  12 1
            12   11  13 2
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16    7  10 2

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  All links  
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
All databases (9)   

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