KEGG   COMPOUND: C08691Help
Entry
C08691                      Compound                               

Name
Indaconitine
Formula
C34H47NO10
Exact mass
629.32
Mol weight
629.7377
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08691  Indaconitine
BRITE hierarchy
Other DBs
CAS: 4491-19-4
PubChem: 10884
ChEBI: 5890
KNApSAcK: C00001647
3DMET: B02333
NIKKAJI: J8.743B
KCF data Show

ATOM        45
            1   C1z C    23.9945  -17.5937
            2   C1y C    23.9945  -18.8970
            3   C1y C    23.9769  -16.2960
            4   C1y C    24.9296  -16.8456
            5   C1y C    22.8722  -16.9449
            6   C1z C    22.8722  -19.5459
            7   C1y C    24.9705  -19.6743
            8   C1y C    26.1920  -19.3764
            9   N1y N    22.3988  -18.3300
            10  C1y C    26.1278  -17.1144
            11  C1x C    24.8886  -15.6240
            12  C1x C    21.7383  -17.5937
            13  O2a O    22.8722  -15.6474
            14  C1x C    22.4103  -20.6680
            15  C1y C    21.7383  -18.8970
            16  C1b C    23.3807  -20.6680
            17  O2a O    24.6899  -20.9427
            18  C1z C    26.7182  -18.1956
            19  C1b C    21.2766  -17.6814
            20  C1y C    26.7590  -16.0623
            21  C1z C    25.9466  -15.1389
            22  C1a C    21.7442  -14.9928
            23  O1a O    20.6162  -19.5459
            24  O2a O    23.3690  -21.9714
            25  C1a C    26.0044  -21.9595
            26  C1x C    28.2320  -17.4885
            27  O7a O    27.8345  -18.8385
            28  C1a C    20.1485  -18.3300
            29  O7a O    28.9685  -14.9634
            30  C1y C    27.1740  -15.1329
            31  O1a O    26.2214  -13.9347
            32  C1a C    22.0837  -22.7484
            33  C7a C    27.8345  -20.1362
            34  C7a C    30.0322  -15.5713
            35  O2a O    27.9455  -13.8768
            36  C1a C    28.9625  -20.7908
            37  O6a O    26.7065  -20.7849
            38  C8y C    31.0901  -14.9634
            39  O6a O    30.0322  -16.7929
            40  C1a C    27.4370  -12.4744
            41  C8x C    32.1422  -15.5713
            42  C8x C    31.0901  -13.7419
            43  C8x C    33.2059  -14.9634
            44  C8x C    32.1422  -13.1283
            45  C8x C    33.2000  -13.7419
BOND        51
            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 #Down
            17    8  18 1
            18    9  19 1
            19   10  20 1
            20   11  21 1
            21   13  22 1
            22   15  23 1 #Down
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   19  28 1
            28   20  29 1 #Down
            29   21  30 1
            30   21  31 1 #Up
            31   24  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1 #Up
            35   33  36 1
            36   33  37 2
            37   34  38 1
            38   34  39 2
            39   35  40 1
            40   38  41 2
            41   38  42 1
            42   41  43 1
            43   42  44 2
            44   43  45 2
            45    7   8 1
            46    9  14 1
            47   10  18 1
            48   12  15 1
            49   20  21 1
            50   26  30 1
            51   44  45 1

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