KEGG   COMPOUND: C04101Help
Entry
C04101                      Compound                               

Name
1-O,6-O-Digalloyl-beta-D-glucose
Formula
C20H20O14
Exact mass
484.0853
Mol weight
484.3644
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 6792
ChEBI: 15723
ChEMBL: CHEMBL522251
NIKKAJI: J417.532H
KCF data Show

ATOM        34
            1   C1y C    19.7156  -16.7574
            2   O2x O    18.4964  -16.0580
            3   C1y C    19.7156  -18.1499
            4   O7a O    20.9346  -16.0645
            5   C1y C    17.2900  -16.7574
            6   C1y C    18.4964  -18.8557
            7   O1a O    20.9283  -18.8557
            8   C7a C    22.1410  -15.3650
            9   C1y C    17.2900  -18.1499
            10  C1b C    16.0965  -16.0580
            11  O1a O    18.4964  -20.2481
            12  C8y C    23.3473  -16.0645
            13  O6a O    22.1475  -13.9662
            14  O1a O    16.0965  -18.8557
            15  O7a O    15.0250  -16.9627
            16  C8x C    23.3473  -17.4761
            17  C8x C    24.5728  -15.3715
            18  C7a C    13.8121  -16.2697
            19  C8y C    24.5728  -18.1884
            20  C8y C    25.7792  -16.0645
            21  C8y C    12.6060  -16.9755
            22  O6a O    13.8058  -14.8773
            23  C8y C    25.7727  -17.4312
            24  O1a O    24.5728  -19.5872
            25  O1a O    26.9856  -15.3715
            26  C8x C    12.6060  -18.3873
            27  C8x C    11.3802  -16.2762
            28  O1a O    26.9919  -18.1690
            29  C8y C    11.3802  -19.0995
            30  C8y C    10.1741  -16.9755
            31  C8y C    10.1804  -18.3360
            32  O1a O    11.4439  -20.4219
            33  O1a O     8.9612  -16.2762
            34  O1a O     8.9612  -19.0738
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 2
            16   12  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 2
            22   19  23 2
            23   19  24 1
            24   20  25 1
            25   21  26 2
            26   21  27 1
            27   23  28 1
            28   26  29 1
            29   27  30 2
            30   29  31 2
            31   29  32 1
            32   30  33 1
            33   31  34 1
            34    6   9 1
            35   20  23 1
            36   30  31 1

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