KEGG   COMPOUND: C21144
Entry
C21144                      Compound                               
Name
1,3,7-Trimethyl-5-hydroxyisourate
Formula
C8H10N4O4
Exact mass
226.0702
Mol weight
226.19
Structure
Reaction
R11153
Pathway
map00232  Caffeine metabolism
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.212
Other DBs
PubChem: 313046624
LinkDB
KCF data

ATOM        16
            1   C1z C    18.5721  -15.4275
            2   C2y C    18.5721  -16.8533
            3   C5x C    19.7760  -14.7202
            4   N1y N    17.2689  -14.9950
            5   N1y N    19.7760  -17.5371
            6   N2x N    17.2689  -17.2859
            7   N1y N    20.9974  -15.4567
            8   O5x O    19.7760  -13.3411
            9   C5x C    16.4508  -16.1521
            10  C1a C    16.8364  -13.6683
            11  C5x C    20.9974  -16.8008
            12  C1a C    19.7760  -18.9690
            13  C1a C    22.2188  -14.7730
            14  O5x O    22.2479  -17.5021
            15  O5x O    15.0554  -16.1588
            16  O1a O    18.5721  -14.0275
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 2
            14    6   9 1
            15    7  11 1
            16    9  15 2
            17    1  16 1

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