KEGG   COMPOUND: C10796Help
Entry
C10796                      Compound                               

Name
alpha-Chaconine
Formula
C45H73NO14
Exact mass
851.5031
Mol weight
852.0594
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10796  alpha-Chaconine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Steroid alkaloids
    C10796  alpha-Chaconine
BRITE hierarchy
Other DBs
CAS: 20562-03-2
PubChem: 12979
ChEBI: 10219
KNApSAcK: C00002242
3DMET: B04130
NIKKAJI: J15.746E
LinkDB All DBs
KCF data Show

ATOM        60
            1   C1y C    15.6485  -21.1990
            2   C1y C    15.6485  -22.5867
            3   C1y C    16.8523  -23.2772
            4   C1y C    18.0561  -22.5867
            5   C1y C    18.0561  -21.1990
            6   O2x O    16.8523  -20.5015
            7   C1a C    14.4368  -20.5015
            8   O1a O    14.4368  -23.2701
            9   O1a O    16.8390  -24.6649
            10  O1a O    19.2412  -23.2772
            11  O2a O    19.4173  -20.5649
            12  C1y C    25.7153  -21.5160
            13  C1y C    26.9071  -20.8292
            14  O2x O    25.7093  -22.9081
            15  C1y C    28.0451  -21.5264
            16  O1a O    26.9202  -19.4382
            17  C1y C    26.8972  -23.6059
            18  C1y C    28.1039  -22.9215
            19  O1a O    29.3167  -20.8449
            20  C1a C    26.8869  -25.0139
            21  O1a O    29.3011  -23.6113
            22  O2a O    24.3275  -20.6354
            23  C1x C    25.8492  -15.4363
            24  C1y C    25.8492  -16.8242
            25  C1x C    27.0601  -17.5145
            26  C1x C    27.0601  -14.7390
            27  C1z C    28.1797  -15.4363
            28  C2y C    28.2437  -16.8242
            29  C2x C    29.4489  -17.5196
            30  C1x C    30.6527  -16.8345
            31  C1y C    29.4607  -14.7443
            32  C1y C    30.6527  -15.4497
            33  C1x C    30.6755  -12.6814
            34  C1x C    29.4722  -13.3599
            35  C1z C    31.8676  -13.3797
            36  C1y C    31.8585  -14.7691
            37  C1x C    33.1768  -15.2023
            38  C1y C    33.1913  -12.9570
            39  C1y C    34.0069  -14.0930
            40  C1y C    34.0197  -11.8371
            41  C1y C    35.3333  -12.2699
            42  N1y N    35.3241  -13.6681
            43  C1x C    36.5305  -14.3681
            44  C1y C    37.7390  -13.6769
            45  C1x C    37.7481  -12.2858
            46  C1x C    36.5487  -11.5857
            47  C1y C    20.7207  -19.8393
            48  C1y C    21.9182  -20.5298
            49  C1y C    23.1261  -18.4573
            50  O2x O    21.9216  -17.7599
            51  C1y C    20.7224  -18.4544
            52  C1y C    23.1229  -19.8322
            53  C1b C    19.5161  -17.7541
            54  O1a O    19.5090  -16.3664
            55  O2a O    24.6094  -17.5779
            56  C1a C    28.2373  -14.0486
            57  C1a C    31.8583  -11.9916
            58  C1a C    33.6476  -10.4911
            59  C1a C    38.9382  -14.3727
            60  O1a O    21.9196  -21.9386
BOND        68
            1    12  22 1 #Up
            2     4  10 1 #Down
            3     5  11 1 #Up
            4     1   2 1
            5     2   3 1
            6     3   4 1
            7     4   5 1
            8     5   6 1
            9     6   1 1
            10    1   7 1 #Down
            11    2   8 1 #Up
            12    3   9 1 #Down
            13   13  16 1 #Down
            14   14  17 1
            15   15  18 1
            16   15  19 1 #Down
            17   17  20 1 #Down
            18   18  21 1 #Up
            19   17  18 1
            20   12  13 1
            21   12  14 1
            22   27  28 1
            23   35  36 1
            24   36  37 1
            25   37  39 1
            26   38  35 1
            27   28  29 2
            28   29  30 1
            29   30  32 1
            30   38  39 1
            31   47  48 1
            32   49  50 1
            33   50  51 1
            34   51  47 1
            35   39  42 1
            36   41  40 1
            37   40  38 1
            38   31  27 1
            39   27  26 1
            40   26  23 1
            41   23  24 1
            42   31  32 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   49  52 1
            48   52  48 1
            49   45  46 1
            50   52  22 1 #Down
            51   46  41 1
            52   51  53 1 #Up
            53   32  36 1
            54   53  54 1
            55   35  33 1
            56   49  55 1 #Up
            57   24  55 1 #Up
            58   33  34 1
            59   27  56 1 #Up
            60   34  31 1
            61   24  25 1
            62   25  28 1
            63   35  57 1 #Up
            64   40  58 1 #Down
            65   44  59 1 #Down
            66   47  11 1 #Down
            67   13  15 1
            68   48  60 1 #Up

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