KEGG   COMPOUND: C08699
Entry
C08699                      Compound                               
Name
Methyllycaconitine
Formula
C37H50N2O10
Exact mass
682.3465
Mol weight
682.8003
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08699  Methyllycaconitine
Other DBs
CAS: 21019-30-7
PubChem: 10892
KNApSAcK: C00001655 C00028578
3DMET: B05279
NIKKAJI: J148.899F
LinkDB
KCF data

ATOM        49
            1   C1z C    27.0140  -15.8089
            2   C1y C    27.0140  -17.1561
            3   C1y C    27.0023  -14.4793
            4   C1y C    27.9763  -15.0393
            5   C1y C    25.8652  -15.1500
            6   C1z C    25.8652  -17.8151
            7   C1y C    28.0230  -17.9492
            8   C1z C    29.2825  -17.6460
            9   N1y N    25.3812  -16.5671
            10  C1y C    29.2125  -15.3249
            11  C1x C    27.8655  -13.7795
            12  C1x C    24.7047  -15.8089
            13  O2a O    25.8652  -13.8088
            14  C1x C    25.3871  -18.9697
            15  C1x C    24.7047  -17.1502
            16  C1b C    26.5183  -18.9697
            17  O2a O    27.7312  -19.2496
            18  C1z C    29.8073  -16.4213
            19  O1a O    30.2796  -18.5264
            20  C1b C    24.1741  -15.8732
            21  C1y C    29.8599  -14.2404
            22  C1y C    29.0201  -13.2898
            23  C1a C    24.7105  -13.1440
            24  O7a O    26.5126  -20.3052
            25  C1a C    29.2128  -20.1477
            26  C1x C    31.3703  -15.7041
            27  O1a O    30.7929  -17.4069
            28  C1a C    22.9669  -16.5671
            29  O2a O    32.1225  -13.1090
            30  C1y C    30.2796  -13.2839
            31  C7a C    25.3404  -20.8941
            32  C1a C    33.4229  -13.7330
            33  O2a O    31.0787  -12.2110
            34  C8y C    25.3345  -22.0895
            35  O6a O    24.3782  -20.2935
            36  C1a C    30.4780  -10.8522
            37  C8y C    24.3024  -22.6728
            38  C8x C    26.3551  -22.6845
            39  N1y N    23.2760  -22.0721
            40  C8x C    24.2907  -23.8566
            41  C8x C    26.4192  -23.8740
            42  C5x C    22.9319  -20.9233
            43  C5x C    22.2962  -22.7427
            44  C8x C    25.3171  -24.4688
            45  C1x C    21.7481  -20.9057
            46  O5x O    23.5210  -19.9027
            47  C1y C    21.3515  -22.0254
            48  O5x O    22.3371  -23.9324
            49  C1a C    20.2144  -22.3696
BOND        56
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36   34  37 2
            37   34  38 1
            38   37  39 1
            39   37  40 1
            40   38  41 2
            41   39  42 1
            42   39  43 1
            43   40  44 2
            44   42  45 1
            45   42  46 2
            46   43  47 1
            47   43  48 2
            48   47  49 1
            49    7   8 1
            50    9  14 1
            51   10  18 1
            52   12  15 1
            53   21  22 1
            54   26  30 1
            55   41  44 1
            56   45  47 1

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