KEGG   COMPOUND: C17760
Entry
C17760                      Compound                               
Name
Senegin III
Formula
C75H112O35
Exact mass
1572.6984
Mol weight
1573.67
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C17760  Senegin III
Other DBs
PubChem: 163311808
ChEBI: 177680
KNApSAcK: C00050303
LinkDB
KCF data

ATOM        110
            1   C1y C    34.3000  -28.0000
            2   C1y C    34.3000  -29.4000
            3   C1y C    35.5124  -30.1000
            4   C1y C    36.7249  -29.4000
            5   C1y C    36.7249  -28.0000
            6   O2x O    35.5124  -27.3000
            7   C1y C    35.5241  -16.7828
            8   O2x O    36.7828  -17.4821
            9   C1y C    35.4542  -15.3843
            10  C1y C    37.9716  -16.7828
            11  C1y C    36.7828  -14.6151
            12  O1a O    34.2654  -14.6151
            13  C1y C    37.9716  -15.3843
            14  C1b C    39.1604  -17.4821
            15  O1a O    36.7828  -13.2165
            16  O1a O    39.1604  -14.6151
            17  C1y C    13.6366  -32.2369
            18  O2x O    12.4479  -31.5377
            19  C1y C    13.6366  -33.6355
            20  C1y C    11.1891  -32.1670
            21  C1y C    12.3779  -34.2649
            22  O1a O    14.8254  -34.3348
            23  C1y C    11.1891  -33.5656
            24  C1b C    10.0004  -31.4677
            25  O1a O    12.3779  -35.7334
            26  O1a O     9.9304  -34.2649
            27  O1a O    10.0004  -30.0692
            28  C1z C    22.1679  -28.7405
            29  C1z C    20.9791  -29.4398
            30  C2y C    22.1679  -27.3420
            31  C1x C    23.3566  -29.4398
            32  C1b C    22.1679  -30.1391
            33  C1y C    19.7903  -28.7405
            34  C1x C    20.9791  -30.8384
            35  C1a C    20.9791  -28.6007
            36  C1y C    23.4266  -26.7126
            37  C2x C    20.9791  -26.6427
            38  C1x C    24.5454  -28.8105
            39  O1a O    23.3566  -30.8384
            40  C1z C    18.5316  -29.4398
            41  C1x C    19.7903  -27.3420
            42  C1x C    19.7204  -31.5377
            43  C1z C    24.6154  -27.4119
            44  C1x C    23.4266  -25.2441
            45  C1y C    18.5316  -30.8384
            46  C1x C    17.3428  -28.7405
            47  C1a C    18.5316  -28.0413
            48  C7a C    25.8041  -28.1112
            49  C1x C    25.8041  -26.7126
            50  C1z C    24.6154  -24.5448
            51  C1z C    17.3428  -31.5377
            52  C1y C    16.0841  -29.4398
            53  O7a O    27.0628  -27.4119
            54  O6a O    25.8041  -29.5097
            55  C1x C    25.8041  -25.2441
            56  C1a C    25.2447  -23.3561
            57  C1a C    23.8461  -23.4260
            58  C1y C    16.0841  -30.8384
            59  C6a C    18.1120  -32.7964
            60  C1a C    16.6435  -32.7264
            61  O1a O    14.8254  -28.7405
            62  C1y C    28.3215  -28.1112
            63  O2a O    14.8254  -31.5377
            64  O6a O    19.5106  -32.7964
            65  O6a O    18.1120  -34.1949
            66  C1y C    29.5103  -27.4119
            67  O2x O    28.2516  -29.5097
            68  O2a O    29.5103  -26.0133
            69  C1y C    30.6991  -28.1112
            70  C1y C    29.5103  -30.2090
            71  C1y C    29.5103  -24.5448
            72  C1y C    30.6991  -29.5097
            73  O2a O    32.4479  -26.9919
            74  C1a C    29.5103  -31.6076
            75  C1y C    30.6991  -23.8456
            76  O2x O    28.2516  -23.8456
            77  O7a O    31.8879  -30.2090
            78  C1y C    30.6991  -22.4470
            79  O1a O    31.9578  -24.5448
            80  C1y C    28.2516  -22.4470
            81  C1y C    29.5103  -21.7477
            82  O1a O    31.8879  -21.6778
            83  C1a C    27.0628  -21.7477
            84  O2a O    29.4404  -20.3492
            85  C1y C    30.6292  -19.6499
            86  C1y C    30.6292  -18.2513
            87  O2x O    31.8879  -20.2792
            88  C1y C    31.8180  -17.4821
            89  O1a O    29.4404  -17.5520
            90  C1x C    33.0767  -19.5800
            91  C1y C    33.0767  -18.1814
            92  O1a O    31.8180  -16.1535
            93  O2a O    34.2654  -17.4821
            94  O1a O    39.1604  -18.8807
            95  C7a C    31.8879  -31.9576
            96  C2b C    33.0990  -32.6569
            97  O6a O    30.6767  -32.6569
            98  C2b C    34.3103  -31.9576
            99  C8y C    35.5401  -32.6679
            100 C8x C    35.5397  -34.0553
            101 C8x C    36.7508  -34.7549
            102 C8y C    37.9621  -34.0559
            103 C8x C    37.9625  -32.6686
            104 C8x C    36.7515  -31.9689
            105 O2a O    39.1800  -34.7595
            106 C1a C    40.3787  -34.0678
            107 O1a O    33.0876  -30.1000
            108 O1a O    35.5124  -31.4998
            109 C1a C    37.9560  -27.2890
            110 O1a O    37.9560  -30.1110
BOND        121
            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    11  15 1 #Up
            8    13  16 1 #Up
            9    11  13 1
            10   17  18 1
            11   17  19 1
            12   18  20 1
            13   19  21 1
            14   19  22 1 #Down
            15   20  23 1
            16   20  24 1 #Up
            17   21  25 1 #Up
            18   23  26 1 #Down
            19   24  27 1
            20   21  23 1
            21    7   8 1
            22    7   9 1
            23    8  10 1
            24   28  29 1
            25   28  30 1
            26   28  31 1
            27   28  32 1 #Down
            28   29  33 1
            29   29  34 1
            30   29  35 1 #Up
            31   30  36 1
            32   30  37 2
            33   31  38 1
            34   32  39 1
            35   33  40 1
            36   33  41 1
            37   34  42 1
            38   36  43 1
            39   36  44 1
            40   40  45 1
            41   40  46 1
            42   40  47 1 #Up
            43   43  48 1 #Up
            44   43  49 1
            45   44  50 1
            46   45  51 1
            47   46  52 1
            48   48  53 1
            49   48  54 2
            50   49  55 1
            51   50  56 1
            52   50  57 1
            53   51  58 1
            54   51  59 1 #Down
            55   51  60 1 #Up
            56   52  61 1 #Up
            57   62  53 1 #Up
            58   58  63 1 #Up
            59   59  64 1
            60   59  65 2
            61   62  66 1
            62   62  67 1
            63   66  68 1 #Down
            64   66  69 1
            65   67  70 1
            66   71  68 1 #Down
            67   69  72 1
            68   69  73 1 #Up
            69   70  74 1 #Up
            70   71  75 1
            71   71  76 1
            72   72  77 1 #Up
            73   75  78 1
            74   75  79 1 #Up
            75   76  80 1
            76   78  81 1
            77   78  82 1 #Up
            78   80  83 1 #Up
            79   81  84 1 #Down
            80   85  84 1 #Up
            81   85  86 1
            82   85  87 1
            83   86  88 1
            84   86  89 1 #Down
            85   87  90 1
            86   88  91 1
            87   88  92 1 #Up
            88   91  93 1 #Down
            89   37  41 1
            90   38  43 1
            91   42  45 1
            92   50  55 1
            93   52  58 1
            94   70  72 1
            95   80  81 1
            96   90  91 1
            97   17  63 1 #Up
            98    7  93 1 #Up
            99    9  11 1
            100   9  12 1 #Down
            101  10  13 1
            102  10  14 1 #Up
            103  14  94 1
            104  77  95 1
            105  95  96 1
            106  95  97 2
            107  96  98 2
            108  98  99 1
            109  99 100 2
            110 100 101 1
            111 101 102 2
            112 102 103 1
            113 103 104 2
            114  99 104 1
            115 102 105 1
            116 105 106 1
            117   1  73 1 #Down
            118   2 107 1 #Up
            119   3 108 1 #Up
            120   5 109 1 #Up
            121   4 110 1 #Down

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