KEGG   COMPOUND: C16771
Entry
C16771                      Compound                               
Name
Oscillatoxin A
Formula
C31H46O10
Exact mass
578.3091
Mol weight
578.6909
Structure
Other DBs
CAS: 66671-95-2
PubChem: 96023295
ChEBI: 80718
KNApSAcK: C00046842
NIKKAJI: J20.000J
LinkDB
KCF data

ATOM        41
            1   C1z C    23.0754  -14.3168
            2   O2x O    21.9529  -14.8781
            3   C1x C    24.3383  -14.8781
            4   O2x O    25.3907  -14.3168
            5   C1z C    23.0754  -12.9136
            6   C1z C    20.7602  -14.3168
            7   C1y C    24.3383  -16.2813
            8   C1y C    26.6535  -16.2813
            9   C1x C    21.9529  -12.2120
            10  C1a C    23.9875  -11.7911
            11  C1a C    24.4786  -12.9136
            12  C1y C    20.7602  -12.9136
            13  C1x C    19.5675  -14.8781
            14  O1a O    20.7602  -15.7897
            15  C1y C    25.4608  -16.9127
            16  O7x O    23.1456  -16.9829
            17  C1c C    27.9164  -16.9127
            18  C1a C    19.5675  -12.2120
            19  C7x C    19.5675  -16.2813
            20  C1a C    25.5310  -18.3159
            21  C7x C    23.1454  -18.3159
            22  C1b C    29.0390  -16.2111
            23  C1a C    27.9164  -18.2457
            24  O7x O    20.6900  -16.9127
            25  O6a O    18.4449  -16.9127
            26  C1x C    21.8827  -19.0175
            27  O6a O    24.2681  -19.0175
            28  C1b C    30.2317  -16.9127
            29  C1y C    20.6900  -18.3159
            30  C1c C    31.4244  -16.2111
            31  C1b C    19.5675  -19.0175
            32  C8y C    32.5469  -16.8426
            33  O2a O    31.3542  -14.8781
            34  O1a O    18.4449  -18.3159
            35  C8x C    32.6171  -18.2457
            36  C8x C    33.7396  -16.2111
            37  C1a C    32.5469  -14.2467
            38  C8y C    33.7396  -18.8772
            39  C8x C    34.9324  -16.8426
            40  C8x C    34.9324  -18.1756
            41  O1a O    33.7396  -20.2804
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17   12  18 1 #Down
            18   13  19 1
            19   15  20 1 #Up
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   19  24 1
            24   19  25 2
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   30  33 1 #Down
            33   31  34 1
            34   32  35 1
            35   32  36 2
            36   33  37 1
            37   35  38 2
            38   36  39 1
            39   38  40 1
            40   38  41 1
            41    8  15 1
            42    9  12 1
            43   26  29 1
            44   39  40 2

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