KEGG   COMPOUND: C10845
Entry
C10845                      Compound                               

Name
Belladonnine
Formula
C34H42N2O4
Exact mass
542.3145
Mol weight
542.7083
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10845  Belladonnine
Other DBs
CAS: 510-25-8
PubChem: 13028
ChEBI: 3006
KNApSAcK: C00002278
3DMET: B05491
NIKKAJI: J6.260J
KCF data

ATOM        40
            1   C8y C    29.7905  -16.8096
            2   C8x C    31.1754  -16.8096
            3   C8x C    31.8681  -15.6121
            4   C8x C    31.1754  -14.4144
            5   C8x C    29.7905  -14.4144
            6   C8x C    29.0979  -15.6121
            7   C1y C    24.9994  -16.8167
            8   C1x C    24.0410  -15.3640
            9   C1x C    24.0410  -16.3573
            10  C1y C    22.6325  -15.3640
            11  C1y C    22.5565  -16.3573
            12  N1y N    21.8225  -14.4734
            13  C1x C    21.6378  -15.9449
            14  C1x C    21.1200  -17.0072
            15  C1a C    21.8154  -13.0868
            16  C1y C    26.1723  -21.6503
            17  C1x C    25.2070  -20.1905
            18  C1x C    25.2070  -21.1839
            19  C1y C    23.7985  -20.1905
            20  C1y C    23.7225  -21.1839
            21  N1y N    22.9885  -19.2998
            22  C1x C    22.8038  -20.7712
            23  C1x C    22.2860  -21.8338
            24  C1a C    22.9814  -17.9134
            25  C1z C    28.5891  -17.5092
            26  C1x C    27.3878  -18.1947
            27  C1x C    27.3799  -19.5795
            28  C1y C    28.5731  -20.2787
            29  C8y C    29.7895  -18.2085
            30  C8y C    29.8459  -19.5861
            31  C8x C    30.9602  -20.2867
            32  C8x C    32.2282  -19.6097
            33  C8x C    32.1718  -18.2320
            34  C8x C    30.9875  -17.5314
            35  C7a C    28.5679  -21.6572
            36  O7a O    27.3737  -22.3427
            37  O6a O    29.7693  -22.3498
            38  C7a C    27.3949  -16.8167
            39  O7a O    26.2006  -17.5092
            40  O6a O    27.3878  -15.4317
BOND        46
            1    16  17 1
            2    16  18 1
            3    17  19 1
            4    18  20 1
            5    19  21 1
            6    19  22 1
            7    20  23 1
            8    20  21 1
            9    22  23 1
            10    8  10 1
            11   21  24 1
            12    9  11 1
            13   10  12 1
            14   10  13 1
            15   11  14 1
            16   25  26 1
            17   26  27 1
            18   27  28 1
            19   28  30 1
            20   29  25 1
            21   11  12 1
            22   13  14 1
            23    1   2 2
            24   12  15 1
            25    2   3 1
            26    3   4 2
            27   29  30 2
            28   30  31 1
            29   31  32 2
            30   32  33 1
            31   33  34 2
            32   34  29 1
            33    4   5 1
            34   28  35 1 #Up
            35    5   6 2
            36   35  36 1
            37   16  36 1 #Down
            38    6   1 1
            39   35  37 2
            40   25  38 1 #Up
            41    7   8 1
            42   38  39 1
            43    7  39 1 #Down
            44    7   9 1
            45   38  40 2
            46   25   1 1 #Down

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