KEGG   COMPOUND: C20383
Entry
C20383                      Compound                               
Name
Mycophenolic acid O-acyl-glucuronide
Formula
C23H28O12
Exact mass
496.1581
Mol weight
496.46
Structure
Reaction
Enzyme
Other DBs
PubChem: 163312121
LinkDB
KCF data

ATOM        35
            1   C1y C     8.5239  -15.8162
            2   O2x O     9.7307  -15.1165
            3   C1y C     8.5239  -17.2027
            4   C1y C    10.9504  -15.8097
            5   C1y C     9.7307  -17.9087
            6   O1a O     7.3235  -17.9087
            7   C1y C    10.9504  -17.2027
            8   O1a O     9.7307  -19.3018
            9   O1a O    12.1636  -17.9087
            10  C6a C     7.2808  -15.0913
            11  O6a O     6.0707  -15.7900
            12  O6a O     7.2838  -13.6942
            13  C8y C    23.0430  -16.9149
            14  C8y C    23.0372  -15.5049
            15  C8y C    21.8312  -17.6081
            16  C1x C    24.3773  -17.3460
            17  C8y C    21.8312  -14.8058
            18  C7x C    24.3713  -15.0736
            19  C8y C    20.6192  -16.9149
            20  C1a C    21.8312  -19.0122
            21  O7x O    25.1987  -16.2099
            22  C8y C    20.6192  -15.5049
            23  O1a O    21.8312  -13.4074
            24  O6a O    24.8084  -13.7395
            25  O2a O    19.4074  -17.6081
            26  C1b C    19.4074  -14.8058
            27  C1a C    19.4074  -19.0122
            28  C2b C    18.1957  -15.4992
            29  C2c C    16.9839  -14.8000
            30  C1b C    15.7777  -15.4932
            31  C1a C    16.9898  -13.4017
            32  C1b C    14.5660  -14.7941
            33  C7a C    13.3542  -15.4815
            34  O7a O    12.1423  -14.7884
            35  O6a O    13.3484  -16.8856
BOND        37
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     5   8 1 #Up
            8     7   9 1 #Down
            9     5   7 1
            10    1  10 1 #Up
            11   10  11 1
            12   10  12 2
            13   13  14 2
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   22  26 1
            26   25  27 1
            27   26  28 1
            28   28  29 2
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 2
            35   18  21 1
            36   19  22 1
            37    4  34 1 #Up

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