KEGG   COMPOUND: C16907
Entry
C16907                      Compound                               

Name
Azaspiracid
Formula
C47H71NO12
Exact mass
841.4976
Mol weight
842.0661
Structure
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Others
   Others
    C16907  Azaspiracid
Other DBs
CAS: 214899-21-5
PubChem: 135626079
ChEBI: 138858 145152
LinkDB
KCF data

ATOM        60
            1   C1y C    27.2156  -12.1720
            2   C1x C    28.4272  -12.8715
            3   C1y C    29.6390  -12.1720
            4   C1y C    29.6390  -10.7729
            5   O2x O    28.4272  -10.0734
            6   C1x C    22.4587   -9.3039
            7   C1y C    22.4587  -10.7030
            8   O2x O    23.6703  -11.4025
            9   C2x C    24.8821   -9.3039
            10  C2x C    23.6703   -8.6044
            11  C2b C    21.2472  -10.0034
            12  C2b C    20.0355  -10.7030
            13  C1b C    18.8239  -10.0034
            14  C1b C    17.6123  -10.7030
            15  C6a C    16.4006  -10.0034
            16  O6a O    15.1890  -10.7030
            17  O6a O    16.4006   -8.6047
            18  C1z C    24.9206  -10.7329
            19  O2x O    26.0271  -11.5891
            20  C1z C    27.1834  -10.8016
            21  C1x C    26.7916   -9.4585
            22  C1x C    25.3932   -9.4160
            23  O2x O    30.9695  -12.6044
            24  C1y C    31.7919  -11.4725
            25  C1x C    30.9695  -10.3407
            26  C1c C    32.7146  -12.4977
            27  C1z C    32.7146  -13.8967
            28  O2x O    31.5135  -14.5905
            29  C1y C    31.5138  -15.9896
            30  C1y C    32.7257  -16.6889
            31  C1x C    33.9267  -15.9952
            32  C1y C    33.9264  -14.5961
            33  C2c C    30.7779  -17.2280
            34  C1b C    29.3788  -17.2218
            35  C1z C    28.6738  -18.4302
            36  C2a C    31.4602  -18.4330
            37  O1a O    31.5337  -13.4253
            38  C1a C    26.0123  -12.8857
            39  C1a C    35.1309  -13.9005
            40  C1a C    32.7256  -18.1180
            41  O2x O    27.2858  -18.4238
            42  C1y C    26.5806  -19.6321
            43  C1x C    27.2746  -20.8471
            44  C1y C    28.6625  -20.8535
            45  C1x C    29.3678  -19.6451
            46  O2x O    27.9744  -17.2187
            47  C1y C    25.8811  -18.4205
            48  C1y C    26.5919  -17.1897
            49  C1x C    25.6410  -16.1332
            50  C1z C    24.3424  -16.7113
            51  O2x O    24.4909  -18.1249
            52  N1x N    24.3426  -15.3199
            53  C1x C    23.1310  -14.6203
            54  C1y C    21.9193  -15.3196
            55  C1x C    21.9191  -16.7110
            56  C1y C    23.1306  -17.4106
            57  C1a C    23.1303  -18.8173
            58  C1a C    20.6929  -14.6112
            59  C1a C    29.3655  -22.0849
            60  O1a O    33.9895  -12.0090
BOND        68
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     9  10 2
            8     6  10 1
            9     7  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   15  17 2
            16   18  19 1
            17   20  19 1 #Up
            18   20  21 1
            19   21  22 1
            20   18  22 1
            21    9  18 1
            22   18   8 1 #Down
            23    5  20 1
            24   20   1 1
            25    3  23 1
            26   23  24 1
            27   24  25 1
            28    4  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   29  33 1
            38   33  34 1
            39   34  35 1
            40   33  36 2
            41   27  37 1 #Down
            42    1  38 1 #Down
            43   32  39 1 #Down
            44   30  40 1 #Down
            45   35  41 1 #Down
            46   42  41 1 #Down
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   35  45 1
            51   35  46 1
            52   42  47 1
            53   47  48 1
            54   46  48 1
            55   48  49 1
            56   49  50 1
            57   51  50 1 #Down
            58   47  51 1
            59   50  52 1
            60   52  53 1
            61   53  54 1
            62   54  55 1
            63   55  56 1
            64   50  56 1
            65   56  57 1 #Down
            66   54  58 1 #Down
            67   44  59 1 #Down
            68   26  60 1 #Down

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