KEGG   COMPOUND: C03995
Entry
C03995                      Compound                               
Name
4-Nitrophenyl-3-ketovalidamine;
p-Nitrophenyl-3-ketovalidamine;
N-(4-Nitrophenyl)-3-ketovalidamine
Formula
C13H16N2O6
Exact mass
296.1008
Mol weight
296.2759
Structure
Reaction
Enzyme
Other DBs
PubChem: 6708
ChEBI: 15984
NIKKAJI: J2.412.649H
LinkDB
KCF data

ATOM        21
            1   C1y C    24.3962  -19.5655
            2   C1y C    24.3962  -20.9713
            3   C1x C    25.6174  -21.6776
            4   C1y C    26.8316  -20.9713
            5   C1y C    26.8316  -19.5655
            6   C5x C    25.6174  -18.8661
            7   N1b N    28.0503  -21.6767
            8   O1a O    28.0503  -18.8670
            9   O5x O    25.6192  -17.4604
            10  O1a O    23.1852  -18.8654
            11  C1b C    23.1846  -21.6701
            12  O1a O    21.9736  -20.9704
            13  C8y C    29.2666  -20.9762
            14  C8x C    30.4473  -21.6595
            15  C8x C    31.6625  -20.9597
            16  C8y C    31.6640  -19.5574
            17  C8x C    30.4834  -18.8741
            18  C8x C    29.2682  -19.5739
            19  N2b N    32.8978  -18.8467 #+
            20  O3a O    34.1008  -19.5430 #-
            21  O3a O    32.8991  -17.4516
BOND        22
            1     4   7 1 #Up
            2     1   2 1
            3     5   8 1 #Up
            4     2   3 1
            5     6   9 2
            6     3   4 1
            7     1  10 1 #Up
            8     4   5 1
            9     5   6 1
            10    2  11 1 #Down
            11    6   1 1
            12   11  12 1
            13    7  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   19  20 1
            22   19  21 2

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