KEGG   COMPOUND: C11608
Entry
C11608                      Compound                               
Name
Nafenopin glucuronide
Formula
C26H30O9
Exact mass
486.189
Mol weight
486.511
Structure
Other DBs
PubChem: 13773
ChEBI: 7450
NIKKAJI: J2.775.249G
LinkDB
KCF data

ATOM        35
            1   O7a O    24.9510  -18.4685
            2   C1y C    23.6843  -19.0781
            3   O2x O    22.4850  -18.3877
            4   C1y C    23.6843  -20.4701
            5   C1y C    21.2738  -19.0781
            6   C1y C    22.4850  -21.1661
            7   O1a O    24.8895  -21.1661
            8   C1y C    21.2738  -20.4701
            9   C6a C    20.0687  -18.3877
            10  O1a O    22.4909  -22.5581
            11  O1a O    20.0687  -21.1719
            12  O6a O    20.0745  -16.9957
            13  O6a O    18.8706  -19.0781
            14  C8x C    37.1071  -18.4529
            15  C8x C    37.1071  -19.8569
            16  C8x C    34.6746  -18.4529
            17  C8x C    35.8873  -17.7545
            18  C8y C    34.6746  -19.8569
            19  C8y C    35.8907  -20.5566
            20  C1x C    35.8954  -21.9569
            21  C1x C    34.6841  -22.6575
            22  C1x C    33.4682  -21.9650
            23  C1y C    33.4634  -20.5649
            24  C8y C    29.8163  -18.4666
            25  O2a O    28.6017  -17.7660
            26  C8x C    29.8046  -19.8634
            27  C8x C    31.0259  -17.7601
            28  C1d C    27.3860  -18.4666
            29  C8x C    31.0259  -20.5652
            30  C8x C    32.2416  -18.4550
            31  C7a C    26.1702  -17.7660
            32  C1a C    28.1336  -19.6763
            33  C1a C    26.5732  -19.6006
            34  C8y C    32.2416  -19.8634
            35  O6a O    26.1702  -16.3635
BOND        38
            1     6   8 1
            2     2   1 1 #Up
            3     2   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1
            9     5   9 1 #Up
            10    6  10 1 #Up
            11    8  11 1 #Down
            12    9  12 1
            13    9  13 2
            14   14  15 2
            15   15  19 1
            16   18  16 1
            17   16  17 2
            18   17  14 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  18 1
            25   24  25 1
            26   24  26 2
            27   24  27 1
            28   25  28 1
            29   26  29 1
            30   27  30 2
            31   28  31 1
            32   28  32 1
            33   28  33 1
            34   29  34 2
            35   31   1 1
            36   31  35 2
            37   30  34 1
            38   34  23 1

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