KEGG   COMPOUND: C08694Help
Entry
C08694                      Compound                               

Name
Lappaconitine
Formula
C32H44N2O8
Exact mass
584.3098
Mol weight
584.7004
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08694  Lappaconitine
BRITE hierarchy
Other DBs
CAS: 
32854-75-4
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1z C    26.6294  -16.2098
            2   C1y C    26.6294  -17.5291
            3   C1y C    26.6177  -14.9138
            4   C1y C    27.5693  -15.4625
            5   C1y C    25.5027  -15.5734
            6   C1z C    25.5027  -18.1713
            7   C1x C    27.6159  -18.2998
            8   C1y C    28.8420  -18.0020
            9   N1y N    25.0356  -16.9570
            10  C1z C    28.7719  -15.7369
            11  C1x C    27.4583  -14.2249
            12  C1x C    24.3701  -16.2098
            13  O2a O    25.5027  -14.2540
            14  C1x C    25.0414  -19.2979
            15  C1x C    24.3701  -17.5232
            16  O7a O    25.8937  -19.8642
            17  C1z C    29.3498  -16.8109
            18  C1b C    23.8505  -16.2682
            19  C1y C    29.4023  -14.6802
            20  O1a O    29.7820  -15.7310
            21  C1y C    28.5851  -13.7519
            22  C1a C    24.3759  -13.6119
            23  C7a C    24.6737  -20.4422
            24  C1x C    31.3693  -15.9706
            25  O1a O    30.4823  -17.4590
            26  C1a C    22.6712  -16.9511
            27  O2a O    31.6149  -13.5768
            28  C1y C    30.0268  -13.7461
            29  C8y C    24.6679  -21.6097
            30  O6a O    23.6695  -19.8526
            31  C1a C    32.9574  -14.1899
            32  O2a O    30.8791  -12.5612
            33  C8y C    23.6638  -22.1819
            34  C8x C    25.6661  -22.1936
            35  C1a C    30.0095  -11.1602
            36  C8x C    23.6521  -23.3377
            37  N1b N    22.6538  -21.5923
            38  C8x C    25.6603  -23.3553
            39  C8x C    24.6503  -23.9391
            40  C5a C    21.6554  -22.1643
            41  C1a C    20.6630  -21.5806
            42  O5a O    21.6496  -23.3144
BOND        48
            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    8  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   11  21 1
            21   13  22 1
            22   16  23 1
            23   17  24 1
            24   17  25 1 #Up
            25   18  26 1
            26   19  27 1 #Down
            27   21  28 1
            28   23  29 1
            29   23  30 2
            30   27  31 1
            31   28  32 1 #Up
            32   29  33 2
            33   29  34 1
            34   32  35 1
            35   33  36 1
            36   33  37 1
            37   34  38 2
            38   36  39 2
            39   37  40 1
            40   40  41 1
            41   40  42 2
            42    7   8 1
            43    9  14 1
            44   10  17 1
            45   12  15 1
            46   19  21 1
            47   24  28 1
            48   38  39 1

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