KEGG   COMPOUND: C10815
Entry
C10815                      Compound                               
Name
Protoveratrine A
Formula
C41H63NO14
Exact mass
793.4249
Mol weight
793.9372
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10815  Protoveratrine A
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Steroid alkaloids
    C10815  Protoveratrine A
Other DBs
CAS: 143-57-7
PubChem: 12998
ChEBI: 8594
KNApSAcK: C00002256
3DMET: B04149
NIKKAJI: J13.898C
KCF data

ATOM        56
            1   O7a O    22.9122  -18.9025
            2   C1y C    24.2168  -18.2538
            3   C1z C    24.8913  -19.4394
            4   O1a O    23.8492  -20.4079
            5   O6a O    27.8671  -23.5122
            6   C7a C    29.0482  -22.8281
            7   C1y C    31.1270  -19.2922
            8   C1y C    31.1270  -16.6970
            9   C1y C    32.1817  -17.3510
            10  C1z C    33.3771  -16.7108
            11  C1x C    31.1421  -15.4028
            12  N1y N    32.2678  -14.7560
            13  C1y C    33.3882  -15.4194
            14  C1x C    34.5175  -14.7639
            15  C1x C    34.5261  -13.4728
            16  C1y C    33.4057  -12.8094
            17  C1x C    32.2764  -13.4649
            18  O1a O    29.9925  -19.9340
            19  O7a O    31.1138  -20.5898
            20  O1a O    34.4848  -17.5927
            21  C1y C    32.2249  -18.6385
            22  C1a C    34.6258  -16.1469
            23  C1a C    33.3916  -11.5066
            24  O1a O    33.3564  -19.2922
            25  C1z C    29.9996  -18.6434
            26  C1y C    29.9964  -17.3454
            27  C1x C    28.7625  -16.9434
            28  C1y C    28.7677  -19.0515
            29  C1z C    28.0015  -17.9931
            30  C1y C    26.9403  -20.3678
            31  C1y C    28.2371  -20.2317
            32  C1y C    26.1812  -19.3164
            33  C1z C    26.7171  -18.1319
            34  C1x C    25.9630  -17.0776
            35  C1x C    24.6660  -17.2005
            36  O7a O    29.0340  -21.3352
            37  C1a C    30.2255  -23.5064
            38  C7a C    31.9354  -21.6526
            39  O6a O    31.1806  -22.6260
            40  C1c C    33.2963  -21.6621
            41  C1a C    33.9722  -22.8479
            42  C1b C    33.9888  -20.4857
            43  C1a C    35.3497  -20.4954
            44  O7a O    26.9757  -21.7196
            45  C7a C    26.3554  -22.7577
            46  C1a C    24.9309  -23.0435
            47  O6a O    26.7010  -23.9968
            48  O2x O    25.2877  -22.0433
            49  C1a C    27.3211  -16.9732
            50  C1d C    20.4296  -18.7492
            51  C7a C    21.6035  -18.0651
            52  O6a O    21.6035  -16.7041
            53  C1b C    19.2485  -18.0651
            54  C1a C    18.0674  -18.7492
            55  O1a O    21.0506  -20.0745
            56  C1a C    19.4687  -19.8686
BOND        62
            1    27  29 1
            2    28  25 1
            3     2   1 1 #Up
            4     8  26 1
            5     9  21 1
            6    25  18 1 #Down
            7    28  29 1
            8    29  33 1
            9    32  30 1
            10   30  31 1
            11   31  28 1
            12    7  19 1 #Down
            13   21  24 1 #Up
            14   32  33 1
            15   33  34 1
            16   34  35 1
            17   35   2 1
            18    3  32 1
            19    8   9 1
            20   31  36 1 #Down
            21   36   6 1
            22    9  10 1
            23    6  37 1
            24   10  20 1 #Up
            25   19  38 1
            26   10  13 1
            27   38  39 2
            28   12  11 1
            29   38  40 1
            30   10  22 1 #Down
            31   40  41 1 #Up
            32   11   8 1
            33   40  42 1
            34   42  43 1
            35   16  23 1 #Up
            36   30  44 1 #Down
            37   12  13 1
            38   44  45 1
            39   13  14 1
            40   45  46 1
            41   14  15 1
            42   45  47 2
            43   15  16 1
            44   29  48 1 #Down
            45   16  17 1
            46    3  48 1 #Down
            47   17  12 1
            48   33  49 1 #Up
            49    3   2 1
            50   25   7 1
            51    7  21 1
            52   50  51 1
            53   51   1 1
            54   51  52 2
            55    5   6 2
            56   50  53 1
            57    3   4 1 #Up
            58   53  54 1
            59   25  26 1
            60   50  55 1 #Up
            61   26  27 1
            62   50  56 1 #Down

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