KEGG   COMPOUND: C04719Help
Entry
C04719                      Compound                               

Name
1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone
Formula
C20H18O9
Exact mass
402.0951
Mol weight
402.3515
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
ChEMBL: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    25.3539  -22.0790
            2   C8y C    25.3602  -23.4975
            3   C5x C    24.1272  -21.3699
            4   C8y C    26.5807  -21.3507
            5   C5x C    24.1337  -24.2003
            6   C8x C    26.6061  -24.2003
            7   C8y C    22.9069  -22.0855
            8   O5x O    24.1209  -20.0536
            9   C8y C    27.8265  -22.0535
            10  O1a O    26.5297  -20.0345
            11  C8y C    22.9069  -23.4911
            12  O5x O    24.1337  -25.5868
            13  C8x C    27.8456  -23.4847
            14  C8x C    21.6866  -21.3890
            15  O2a O    29.0212  -21.3443
            16  C8x C    21.6866  -24.2003
            17  C8x C    20.4854  -22.0855
            18  C8x C    20.4854  -23.4911
            19  C1y C    30.2337  -22.0443
            20  O2x O    30.2336  -23.4500
            21  C1y C    31.4461  -24.1500
            22  C1y C    32.6585  -23.4500
            23  C1y C    32.6585  -22.0444
            24  C1y C    31.4461  -21.3444
            25  C1b C    31.4461  -25.5500
            26  O1a O    33.8710  -21.3444
            27  O1a O    31.4461  -19.9444
            28  O1a O    33.8709  -24.1500
            29  O1a O    32.6585  -26.2500
BOND        32
            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 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   14  17 2
            17   16  18 2
            18    7  11 2
            19    9  13 1
            20   17  18 1
            21   19  15 1 #Up
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   21  25 1 #Up
            29   23  26 1 #Up
            30   24  27 1 #Down
            31   22  28 1 #Down
            32   25  29 1

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