KEGG   COMPOUND: C17919
Entry
C17919                      Compound                               
Name
Rindoside
Formula
C35H42O21
Exact mass
798.2219
Mol weight
798.6954
Structure
Other DBs
PubChem: 96024142
ChEBI: 81382
NIKKAJI: J704.074A
LinkDB
KCF data

ATOM        56
            1   C8y C    29.3896  -25.8908
            2   C8x C    29.3896  -27.2904
            3   C8x C    28.2000  -27.9901
            4   C8x C    26.9405  -27.2904
            5   C8y C    26.9405  -25.8908
            6   C8y C    28.2000  -25.1911
            7   O2a O    30.5792  -25.1911
            8   O1a O    28.2000  -23.7916
            9   C7a C    25.7509  -25.1911
            10  O7a O    24.5613  -25.8908
            11  O6a O    25.7509  -23.7916
            12  C1y C    31.7688  -25.8908
            13  C1y C    31.7688  -27.2904
            14  C1y C    32.9583  -27.9901
            15  C1y C    34.2179  -27.2904
            16  C1y C    34.2179  -25.8908
            17  O2x O    32.9583  -25.1911
            18  O1a O    32.9583  -29.3896
            19  C1b C    35.4075  -25.1911
            20  O1a O    30.5792  -27.9901
            21  O1a O    35.4075  -27.9901
            22  O1a O    36.5971  -25.8908
            23  C1y C    23.3018  -25.1911
            24  C1y C    23.3018  -23.7216
            25  O2x O    22.1122  -23.0219
            26  C1y C    20.9226  -23.7216
            27  C1y C    20.9226  -25.1211
            28  C1y C    22.1122  -25.8209
            29  O7a O    19.6630  -25.8908
            30  O2a O    19.6630  -23.0219
            31  O7a O    22.1122  -27.2204
            32  C1b C    24.5613  -23.0219
            33  C1y C    18.4735  -23.7216
            34  C1y C    17.2839  -23.0219
            35  C1z C    16.0943  -23.7216
            36  C2y C    16.0943  -25.1211
            37  C2x C    17.2839  -25.8209
            38  O2x O    18.4735  -25.1211
            39  C1x C    14.8348  -23.0918
            40  C1x C    13.6452  -23.7916
            41  O7x O    13.6452  -25.1911
            42  C7x C    14.9047  -25.8209
            43  O6a O    14.9047  -27.2204
            44  C2b C    17.2839  -21.6224
            45  C2a C    18.5434  -20.9226
            46  O1a O    16.0943  -22.3921
            47  C7a C    19.6630  -27.4303
            48  O6a O    20.9226  -28.1301
            49  C1a C    18.4735  -28.1301
            50  O7a O    24.5613  -21.6224
            51  C7a C    25.7509  -20.9226
            52  C1a C    26.9405  -21.6224
            53  O6a O    25.7509  -19.5231
            54  C7a C    23.3018  -27.9201
            55  C1a C    24.4913  -27.2204
            56  O6a O    23.3018  -29.3196
BOND        60
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     6   8 1
            9     5   9 1
            10    9  10 1
            11    9  11 2
            12   12   7 1 #Down
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 1 #Down
            20   16  19 1 #Down
            21   13  20 1 #Up
            22   15  21 1 #Up
            23   19  22 1
            24   23  10 1 #Up
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   23  28 1
            31   27  29 1 #Up
            32   26  30 1 #Down
            33   28  31 1 #Down
            34   24  32 1 #Down
            35   33  30 1 #Down
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   33  38 1
            42   35  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 1
            46   36  42 1
            47   42  43 2
            48   34  44 1 #Up
            49   44  45 2
            50   35  46 1 #Down
            51   29  47 1
            52   47  48 2
            53   47  49 1
            54   32  50 1
            55   50  51 1
            56   51  52 1
            57   51  53 2
            58   31  54 1
            59   54  55 1
            60   54  56 2

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