KEGG   COMPOUND: C03314
Entry
C03314                      Compound                               
Name
Xanthine-8-carboxylate
Formula
C6H4N4O4
Exact mass
196.0233
Mol weight
196.12
Structure
Reaction
R04154
Enzyme
5.5.1.3
Other DBs
PubChem: 6167
ChEBI: 16806 30881
NIKKAJI: J2.741.545H
LinkDB
KCF data

ATOM        14
            1   C8y C    24.5849  -16.4463
            2   C8y C    24.5849  -17.7828
            3   C8y C    23.4306  -15.7842
            4   N4x N    23.4306  -18.4570
            5   N4x N    22.2826  -16.4463
            6   O5x O    23.4244  -14.5358
            7   C8y C    22.2826  -17.7828
            8   O5x O    21.1345  -18.4389
            9   N5x N    25.8560  -18.1959
            10  C8y C    26.6416  -17.1146
            11  N4x N    25.8560  -16.0333
            12  C6a C    28.0696  -17.0453
            13  O6a O    28.7555  -15.8593
            14  O6a O    28.7842  -18.2841
BOND        15
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     7   8 2
            8     5   7 1
            9     2   9 1
            10    9  10 2
            11   10  11 1
            12    1  11 1
            13   10  12 1
            14   12  13 2
            15   12  14 1

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