KEGG   COMPOUND: C17761
Entry
C17761                      Compound                               
Name
Senegin IV
Formula
C81H122O39
Exact mass
1718.7563
Mol weight
1719.81
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C17761  Senegin IV
Other DBs
PubChem: 163311809
KNApSAcK: C00050304
LinkDB
KCF data

ATOM        120
            1   C1y C    27.6069  -19.6848
            2   C1y C    27.6069  -21.0716
            3   C1y C    28.7858  -21.6957
            4   C1y C    29.9646  -21.0716
            5   C1y C    29.9646  -19.6848
            6   O2x O    28.7858  -18.9913
            7   C1y C    28.7158   -8.6591
            8   O2x O    30.0341   -9.3526
            9   C1y C    28.7165   -7.2723
            10  C1y C    31.2129   -8.6591
            11  C1y C    30.0341   -6.5095
            12  O1a O    27.5376   -6.5095
            13  C1y C    31.2129   -7.2723
            14  C1b C    32.3917   -9.3526
            15  O1a O    30.0341   -5.1226
            16  O1a O    32.3917   -6.5095
            17  C1y C     7.2893  -23.8455
            18  O2x O     6.1104  -23.1520
            19  C1y C     7.2893  -25.2323
            20  C1y C     4.9316  -23.7760
            21  C1y C     6.0410  -25.7870
            22  O1a O     8.4681  -25.8563
            23  C1y C     4.9316  -25.1629
            24  C1b C     3.7527  -23.0826
            25  O1a O     6.0410  -27.2433
            26  O1a O     3.6833  -25.7870
            27  O1a O     3.7527  -21.6957
            28  C1z C    15.6798  -20.3782
            29  C1z C    14.5010  -21.0716
            30  C2y C    15.6798  -18.9913
            31  C1x C    16.8587  -21.0716
            32  C1b C    15.6798  -21.7651
            33  C1y C    13.3222  -20.3782
            34  C1x C    14.5010  -22.4585
            35  C1a C    14.5010  -20.2395
            36  C1y C    16.9280  -18.3672
            37  C2x C    14.5010  -18.2979
            38  C1x C    18.0375  -20.4476
            39  O1a O    16.8587  -22.4585
            40  C1z C    12.1433  -21.0716
            41  C1x C    13.3222  -18.9913
            42  C1x C    13.2528  -23.1520
            43  C1z C    18.1069  -19.0607
            44  C1x C    16.9280  -16.9803
            45  C1y C    12.1433  -22.4585
            46  C1x C    10.9645  -20.3782
            47  C1a C    12.1433  -19.6848
            48  C7a C    19.2857  -19.7542
            49  C1x C    19.2857  -18.3672
            50  C1z C    18.1069  -16.2869
            51  C1z C    10.9645  -23.1520
            52  C1y C     9.7163  -21.0716
            53  O7a O    20.4646  -19.0607
            54  O6a O    19.2857  -21.1411
            55  C1x C    19.2857  -16.9803
            56  C1a C    18.7309  -15.1081
            57  C1a C    17.3441  -15.1774
            58  C1y C     9.7163  -22.4585
            59  C6a C    11.6579  -24.4002
            60  C1a C    10.2017  -24.4695
            61  O1a O     8.4681  -20.3782
            62  C1y C    21.7127  -19.7542
            63  O2a O     8.4681  -23.1520
            64  O6a O    13.0448  -24.4002
            65  O6a O    11.6579  -25.7177
            66  C1y C    22.8916  -19.0607
            67  O2x O    21.7134  -21.1411
            68  O2a O    22.8916  -17.7432
            69  C1y C    24.0704  -19.7542
            70  C1y C    22.8916  -21.8345
            71  C1y C    22.8916  -16.2869
            72  C1y C    24.0704  -21.1411
            73  O2a O    25.8040  -18.7834
            74  C1a C    22.8916  -23.2214
            75  C1y C    24.0704  -15.5935
            76  O2x O    21.6434  -15.5935
            77  O7a O    25.2493  -21.8345
            78  C1y C    24.0704  -14.2066
            79  O1a O    25.3187  -16.2869
            80  C1y C    21.6434  -14.2066
            81  C1y C    22.8916  -13.5132
            82  O2a O    25.9428  -13.1665
            83  C1a C    20.4646  -13.5132
            84  O2a O    22.8916  -12.1263
            85  C1y C    24.0011  -11.4329
            86  C1y C    24.0011  -10.1153
            87  O2x O    25.2493  -12.0570
            88  C1y C    25.1799   -9.3526
            89  O1a O    22.8222   -9.4219
            90  C1x C    26.4281  -11.3635
            91  C1y C    26.4281  -10.0460
            92  O1a O    25.1799   -8.0350
            93  O2a O    27.5376   -9.3526
            94  O1a O    32.3917  -10.6701
            95  C7a C    25.2493  -23.5681
            96  C2b C    26.4281  -24.2615
            97  O6a O    24.0704  -24.2615
            98  C2b C    27.6069  -23.5681
            99  C8y C    28.8552  -24.2615
            100 C8x C    28.7858  -25.5791
            101 C8x C    30.0341  -26.2725
            102 C8y C    31.2129  -25.5791
            103 C8x C    31.2129  -24.2615
            104 C8x C    30.0341  -23.5681
            105 O2a O    32.3917  -26.2725
            106 C1a C    33.5706  -25.6484
            107 O1a O    26.4281  -21.6957
            108 O1a O    28.7858  -23.0826
            109 C1a C    31.2129  -18.9913
            110 O1a O    31.2129  -21.7651
            111 C1y C    27.9537  -14.1373
            112 C1y C    27.9537  -15.5242
            113 C1y C    29.1548  -16.2176
            114 C1y C    30.3559  -15.5242
            115 C1y C    30.3559  -14.1373
            116 O2x O    29.1548  -13.4438
            117 O1a O    26.7526  -16.2176
            118 O1a O    29.1548  -17.6043
            119 O1a O    31.5755  -16.2285
            120 C1a C    31.5755  -13.4329
BOND        132
            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
            122 111 112 1
            123 112 113 1
            124 113 114 1
            125 114 115 1
            126 115 116 1
            127 111 116 1
            128 111  82 1 #Down
            129 112 117 1 #Up
            130 113 118 1 #Up
            131 114 119 1 #Down
            132 115 120 1 #Up

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