KEGG   COMPOUND: C10213
Entry
C10213                      Compound                               
Name
Casuarinin
Formula
C41H28O26
Exact mass
936.0869
Mol weight
936.6454
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10213  Casuarinin
Other DBs
CAS: 79786-01-9
PubChem: 12399
ChEBI: 3462
KNApSAcK: C00002910
3DMET: B03640
NIKKAJI: J393.174I
LinkDB
KCF data

ATOM        67
            1   C1y C    29.4133  -16.4582
            2   O1a O    30.5516  -15.5964
            3   C1y C    27.6096  -18.1943
            4   C1y C    28.8407  -17.6078
            5   C1y C    26.4822  -17.5230
            6   O7x O    27.6038  -19.4196
            7   O7x O    29.8255  -18.4216
            8   C1y C    26.4822  -16.2188
            9   O7x O    24.3900  -18.5912
            10  C7x C    26.5840  -20.1260
            11  C7x C    29.8190  -19.5549
            12  C1x C    25.3664  -15.5733
            13  C7x C    24.3900  -20.0473
            14  C8y C    26.6177  -21.3644
            15  O6a O    25.5621  -19.4947
            16  C8y C    31.0093  -20.2065
            17  O6a O    28.7546  -20.2065
            18  O7x O    24.3700  -16.4133
            19  C8y C    23.2555  -20.6989
            20  O6a O    25.4754  -20.7294
            21  C8x C    25.4975  -22.0463
            22  C8y C    27.7629  -21.9995
            23  C8y C    31.0093  -21.5280
            24  C8y C    32.1298  -19.5549
            25  C7x C    23.2356  -15.7546
            26  C8x C    23.2555  -22.0273
            27  C8y C    22.1295  -20.0473
            28  C8y C    25.5021  -23.3551
            29  C8y C    27.7922  -23.3141
            30  C8y C    32.1298  -22.1911
            31  C8y C    33.2818  -20.2065
            32  C8y C    22.1083  -16.4133
            33  O6a O    23.2356  -14.4588
            34  C8y C    22.1295  -22.6835
            35  C8y C    20.9774  -20.6989
            36  C8y C    26.6657  -23.9889
            37  O1a O    24.3876  -24.0240
            38  O1a O    28.9382  -23.9351
            39  C8y C    33.2818  -21.5280
            40  O1a O    32.1298  -23.4882
            41  O1a O    34.4093  -19.5491
            42  C8y C    22.1083  -17.7360
            43  C8x C    20.9808  -15.7546
            44  C8y C    20.9774  -22.0273
            45  O1a O    22.1353  -23.9933
            46  O1a O    19.7799  -20.7473
            47  O1a O    26.6352  -25.5035
            48  O1a O    34.4151  -22.1736
            49  C8y C    20.9808  -18.4050
            50  C8y C    19.8358  -16.4133
            51  O1a O    19.8499  -22.6730
            52  C8y C    19.8358  -17.7360
            53  O1a O    20.9808  -19.7017
            54  O1a O    18.7154  -15.7488
            55  O1a O    18.7096  -18.3874
            56  O7a O    27.6722  -15.4307
            57  C7a C    27.6801  -14.1316
            58  C8y C    28.8717  -13.4958
            59  O6a O    26.5484  -13.4824
            60  C8x C    29.9482  -14.1547
            61  C8x C    28.8171  -12.1767
            62  C8y C    31.0268  -13.4980
            63  C8y C    29.9479  -11.5186
            64  C8y C    31.0340  -12.1807
            65  O1a O    32.2341  -14.1516
            66  O1a O    29.9545  -10.2216
            67  O1a O    32.2168  -11.5193
BOND        74
            1    10  14 1
            2    10  15 2
            3    11  16 1
            4    11  17 2
            5    12  18 1
            6    13  19 1
            7    13  20 2
            8    14  21 1
            9    14  22 2
            10   16  23 1
            11   16  24 2
            12   18  25 1
            13   19  26 1
            14   19  27 2
            15   21  28 2
            16   22  29 1
            17   23  30 2
            18   24  31 1
            19   25  32 1
            20   25  33 2
            21   26  34 2
            22   27  35 1
            23   28  36 1
            24   28  37 1
            25   29  38 1
            26   30  39 1
            27   30  40 1
            28   31  41 1
            29   32  42 1
            30   32  43 2
            31   34  44 1
            32   34  45 1
            33   35  46 1
            34   36  47 1
            35   39  48 1
            36   42  49 2
            37   43  50 1
            38   44  51 1
            39   49  52 1
            40   49  53 1
            41   50  54 1
            42   52  55 1
            43   29  36 2
            44   31  39 2
            45   35  44 2
            46   50  52 2
            47   42  27 1
            48   22  23 1
            49   24   1 1
            50    4   1 1
            51    1   2 1 #Up
            52    8  56 1
            53    3   4 1
            54    3   5 1
            55    3   6 1 #Up
            56    4   7 1 #Down
            57    5   8 1
            58    5   9 1 #Down
            59    6  10 1
            60    7  11 1
            61    8  12 1 #Up
            62    9  13 1
            63   56  57 1
            64   57  58 1
            65   57  59 2
            66   58  60 2
            67   58  61 1
            68   60  62 1
            69   61  63 2
            70   62  64 2
            71   62  65 1
            72   63  66 1
            73   64  67 1
            74   63  64 1

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