KEGG   COMPOUND: C10243
Entry
C10243                      Compound                               

Name
1,2,3,4-Tetragalloyl-alpha-D-glucose
Formula
C34H28O22
Exact mass
788.1072
Mol weight
788.5729
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10243  1,2,3,4-Tetragalloyl-alpha-D-glucose
Other DBs
CAS: 132023-50-8
PubChem: 12429
ChEBI: 479
ChEMBL: CHEMBL206385
KNApSAcK: C00002940
3DMET: B03668
NIKKAJI: J341.567H
KCF data

ATOM        56
            1   C1y C    24.7336  -16.1248
            2   C1y C    25.9413  -15.4194
            3   C1y C    23.5517  -15.4194
            4   O7a O    24.7279  -17.4183
            5   C1y C    25.9413  -14.0469
            6   O7a O    27.1361  -16.1755
            7   C1y C    23.5517  -14.0469
            8   O7a O    21.3363  -16.5492
            9   C7a C    23.7304  -18.1588
            10  O2x O    24.7336  -13.3673
            11  C7a C    27.1361  -17.5607
            12  C1b C    22.3744  -13.3673
            13  C7a C    21.3363  -18.0803
            14  C8y C    23.7642  -19.4728
            15  O6a O    22.5839  -17.5004
            16  C8y C    28.3178  -18.2461
            17  O6a O    25.9470  -18.2461
            18  O1a O    21.3163  -14.2480
            19  C8y C    20.1473  -18.7659
            20  O6a O    22.4832  -18.7964
            21  C8x C    22.5052  -20.1816
            22  C8x C    24.9005  -20.1349
            23  C8x C    28.3178  -19.6361
            24  C8x C    29.5068  -17.5607
            25  C8x C    20.1473  -20.1626
            26  C8x C    18.9596  -18.0803
            27  C8y C    22.5169  -21.5656
            28  C8y C    24.9298  -21.5247
            29  C8y C    29.5068  -20.3402
            30  C8y C    30.7202  -18.2461
            31  C8y C    18.9596  -20.8671
            32  C8y C    17.7462  -18.7659
            33  C8y C    23.7421  -22.2406
            34  O1a O    21.3339  -22.2756
            35  O1a O    26.1303  -22.1800
            36  C8y C    30.7202  -19.6361
            37  O1a O    29.5068  -21.7125
            38  O1a O    31.9093  -17.5549
            39  C8y C    17.7462  -20.1626
            40  O1a O    18.9653  -22.2450
            41  O1a O    16.5572  -18.0803
            42  O1a O    23.7117  -23.8303
            43  O1a O    31.9150  -20.3228
            44  O1a O    16.5572  -20.8495
            45  O7a O    27.1208  -13.3038
            46  C7a C    28.3307  -12.6749
            47  C8y C    29.5126  -13.3732
            48  O6a O    28.3366  -11.3025
            49  C8x C    29.5126  -14.7630
            50  C8x C    30.7260  -12.6806
            51  C8y C    30.7260  -15.4603
            52  C8y C    31.9150  -13.3732
            53  C8y C    31.8917  -14.7151
            54  O1a O    30.7260  -16.6295
            55  O1a O    33.1041  -12.6806
            56  O1a O    33.1098  -15.4370
BOND        60
            1     8  13 1
            2     9  14 1
            3     9  15 2
            4    11  16 1
            5    11  17 2
            6    12  18 1
            7    13  19 1
            8    13  20 2
            9    14  21 1
            10   14  22 2
            11   16  23 1
            12   16  24 2
            13   19  25 1
            14   19  26 2
            15   21  27 2
            16   22  28 1
            17   23  29 2
            18   24  30 1
            19   25  31 2
            20   26  32 1
            21   27  33 1
            22   27  34 1
            23   28  35 1
            24   29  36 1
            25   29  37 1
            26   30  38 1
            27   31  39 1
            28   31  40 1
            29   32  41 1
            30   33  42 1
            31   36  43 1
            32   39  44 1
            33    7  10 1
            34   28  33 2
            35   30  36 2
            36   32  39 2
            37    5  45 1 #Down
            38    1   2 1
            39    1   3 1
            40    1   4 1 #Up
            41    2   5 1
            42    2   6 1 #Down
            43    3   7 1
            44    3   8 1 #Down
            45    4   9 1
            46    5  10 1
            47    6  11 1
            48    7  12 1 #Up
            49   45  46 1
            50   46  47 1
            51   46  48 2
            52   47  49 2
            53   47  50 1
            54   49  51 1
            55   50  52 2
            56   51  53 2
            57   51  54 1
            58   52  55 1
            59   53  56 1
            60   52  53 1

» Japanese version

DBGET integrated database retrieval system