KEGG   COMPOUND: C17443
Entry
C17443                      Compound                               
Name
Platycodin A
Formula
C59H94O29
Exact mass
1266.5881
Mol weight
1267.3603
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C17443  Platycodin A
Other DBs
PubChem: 96023793
ChEBI: 70438
NIKKAJI: J936.352A
LinkDB
KCF data

ATOM        88
            1   C1y C    16.3159  -23.3120
            2   C1y C    16.3159  -24.7083
            3   C1z C    17.5028  -25.4065
            4   C1y C    18.8293  -24.7083
            5   C1z C    18.8293  -23.3120
            6   C1x C    17.5028  -22.6139
            7   C1x C    20.0161  -25.4065
            8   C1x C    21.2030  -24.7083
            9   C1z C    21.2030  -23.3120
            10  C1y C    20.0161  -22.6139
            11  C1z C    22.4596  -22.6139
            12  C2y C    22.4596  -21.2176
            13  C2x C    21.2030  -20.5195
            14  C1x C    20.0161  -21.2176
            15  C1x C    23.6465  -23.3120
            16  C1y C    24.8333  -22.6139
            17  C1z C    24.8333  -21.2176
            18  C1y C    23.6465  -20.5195
            19  C1x C    26.0900  -20.5195
            20  C1x C    26.0900  -19.1232
            21  C1z C    24.8333  -18.3552
            22  C1x C    23.6465  -19.1232
            23  C7a C    26.0202  -21.9158
            24  O7a O    27.2769  -21.2176
            25  O6a O    26.0202  -23.3120
            26  C1y C    28.4637  -21.9158
            27  O2x O    28.4637  -23.3120
            28  C1x C    29.7204  -24.0102
            29  C1y C    30.9072  -23.3120
            30  C1y C    30.9072  -21.9158
            31  C1y C    29.7204  -21.2176
            32  C1a C    18.8293  -21.9158
            33  C1a C    22.4596  -24.0102
            34  C1b C    18.3406  -26.1046
            35  C1b C    16.6650  -26.1046
            36  O1a O    18.3406  -27.5708
            37  O1a O    16.6650  -27.5708
            38  O1a O    15.1291  -22.6139
            39  O2a O    15.1291  -25.4065
            40  C1y C    13.9422  -24.7083
            41  O2x O    13.9422  -23.3120
            42  C1y C    12.6856  -22.6139
            43  C1y C    11.4987  -23.3120
            44  C1y C    11.4987  -24.7083
            45  C1y C    12.6856  -25.4065
            46  C1b C    12.6856  -21.2176
            47  O1a O    11.4987  -20.5195
            48  O1a O    10.2420  -22.6139
            49  O1a O    10.2420  -25.4065
            50  O1a O    12.6856  -26.8726
            51  O2a O    29.7204  -19.8213
            52  C1y C    30.9771  -19.1232
            53  O2x O    32.1639  -19.8911
            54  C1y C    33.3508  -19.1930
            55  C1y C    33.3508  -17.7269
            56  C1y C    32.1639  -17.0287
            57  C1y C    30.9771  -17.6570
            58  C1a C    34.6772  -19.8911
            59  O2a O    34.6074  -17.0287
            60  O7a O    29.7902  -16.9589
            61  C1y C    35.7943  -17.7269
            62  O2x O    35.7943  -19.1930
            63  C1x C    37.0509  -19.8911
            64  C1y C    38.2378  -19.1930
            65  C1y C    38.2378  -17.7269
            66  C1y C    37.0509  -17.0287
            67  O1a O    37.0509  -15.6324
            68  O2a O    39.4247  -17.0287
            69  C1y C    40.6115  -17.7269
            70  C1y C    41.0304  -19.1232
            71  C1z C    42.5663  -19.1232
            72  C1x C    42.9852  -17.7269
            73  O2x O    41.8682  -16.8891
            74  O1a O    40.2624  -20.3798
            75  C1b C    43.7532  -19.8213
            76  O1a O    44.9400  -19.1232
            77  O1a O    42.2172  -20.4496
            78  O1a O    32.0941  -21.2176
            79  O1a O    32.0941  -24.0102
            80  C1a C    25.6711  -17.2382
            81  C1a C    23.9258  -17.3080
            82  O1a O    24.8333  -24.0102
            83  O1a O    39.2850  -20.3798
            84  C1a C    21.2030  -22.3346
            85  C7a C    29.7902  -15.4230
            86  O6a O    30.9994  -14.7248
            87  C1a C    28.5810  -14.7248
            88  O1a O    32.1952  -15.6328
BOND        97
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27   17  23 1 #Up
            28   23  24 1
            29   23  25 2
            30   26  24 1 #Up
            31   26  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   26  31 1
            37    5  32 1 #Up
            38   11  33 1 #Down
            39    3  34 1
            40    3  35 1
            41   34  36 1
            42   35  37 1
            43    1  38 1 #Up
            44    2  39 1 #Up
            45   40  39 1 #Up
            46   40  41 1
            47   41  42 1
            48   42  43 1
            49   43  44 1
            50   44  45 1
            51   40  45 1
            52   42  46 1 #Up
            53   46  47 1
            54   43  48 1 #Down
            55   44  49 1 #Up
            56   45  50 1 #Down
            57   31  51 1 #Down
            58   52  51 1 #Up
            59   52  53 1
            60   53  54 1
            61   54  55 1
            62   55  56 1
            63   56  57 1
            64   52  57 1
            65   54  58 1 #Down
            66   55  59 1 #Up
            67   57  60 1 #Down
            68   61  59 1 #Up
            69   61  62 1
            70   62  63 1
            71   63  64 1
            72   64  65 1
            73   65  66 1
            74   61  66 1
            75   66  67 1 #Down
            76   65  68 1 #Up
            77   69  68 1 #Down
            78   69  70 1
            79   70  71 1
            80   71  72 1
            81   72  73 1
            82   69  73 1
            83   70  74 1 #Up
            84   71  75 1
            85   75  76 1
            86   71  77 1 #Up
            87   30  78 1 #Up
            88   29  79 1 #Up
            89   21  80 1
            90   21  81 1
            91   16  82 1 #Down
            92   64  83 1 #Down
            93    9  84 1 #Up
            94   60  85 1
            95   85  86 2
            96   85  87 1
            97   56  88 1 #Down

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