KEGG   COMPOUND: C16360
Entry
C16360                      Compound                               

Name
3,7-Dimethyluric acid
Formula
C7H8N4O3
Exact mass
196.0596
Mol weight
196.1634
Structure
Reaction
Pathway
map00232  Caffeine metabolism
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Purine alkaloids
    C16360  3,7-Dimethyluric acid
Other DBs
CAS: 13087-49-5
PubChem: 47205668
ChEBI: 68531
ChEMBL: CHEMBL430928
NIKKAJI: J367.208E
KCF data

ATOM        14
            1   C8y C    28.5244  -25.5101
            2   C8y C    28.5244  -24.0850
            3   N4y N    29.7275  -26.1935
            4   N4x N    27.2220  -25.9424
            5   C8y C    29.7275  -23.3784
            6   N4y N    27.2220  -23.6529
            7   C8y C    30.9482  -25.4576
            8   C1a C    29.7275  -27.6244
            9   C8y C    26.4042  -24.8093
            10  N4x N    30.9482  -24.1143
            11  O5x O    29.7275  -22.0000
            12  C1a C    26.7840  -22.3213
            13  O5x O    32.1980  -26.1585
            14  O5x O    24.9905  -24.7463
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    6   9 1
            14    7  10 1
            15    9  14 2

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