KEGG   COMPOUND: C20367
Entry
C20367                      Compound                               
Name
4-Nitro-6-oxohepta-2,4-dienedioate
Formula
C7H5NO7
Exact mass
215.0066
Mol weight
215.12
Structure
Reaction
R10110 R10111
Enzyme
1.13.11.64
Other DBs
PubChem: 163312105
LinkDB
KCF data

ATOM        15
            1   C5a C    16.2042  -15.1508
            2   C2b C    16.2042  -16.5534
            3   C2c C    17.3964  -17.2547
            4   C2b C    18.6587  -16.5534
            5   C2b C    18.6587  -15.1508
            6   O5a O    17.3964  -14.4496
            7   N2b N    17.3964  -18.6573 #+
            8   C6a C    19.8509  -14.4496
            9   O6a O    21.0431  -15.1508
            10  O6a O    19.8509  -13.0470
            11  O3a O    16.2042  -19.3586
            12  O3a O    18.5886  -19.3586 #-
            13  C6a C    14.9498  -14.4337
            14  O6a O    13.7689  -15.1223
            15  O6a O    15.0134  -13.0205
BOND        14
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   6 2
            6     3   7 1
            7     5   8 1
            8     8   9 1
            9     8  10 2
            10    7  11 2
            11    7  12 1
            12    1  13 1
            13   13  14 1
            14   13  15 2

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