KEGG   COMPOUND: C06784
Entry
C06784                      Compound                               
Name
Pradimicin A
Formula
C40H44N2O18
Exact mass
840.2589
Mol weight
840.78
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C06784  Pradimicin A
Other DBs
CAS: 117704-65-1
PubChem: 9004
ChEBI: 8349
LinkDB
KCF data

ATOM        60
            1   C8y C    28.1779  -17.8943
            2   C8y C    29.3928  -17.2129
            3   C8y C    28.2222  -19.2958
            4   C8y C    26.9694  -17.1872
            5   C8y C    30.5885  -17.9329
            6   C8y C    29.4185  -15.8180
            7   C8x C    26.9437  -19.9900
            8   C1y C    29.3542  -20.0157
            9   C8y C    25.7480  -17.8751
            10  O1a O    26.9565  -15.7796
            11  C1y C    30.5756  -19.3278
            12  C8x C    31.8162  -17.2580
            13  C8y C    30.6399  -15.1366
            14  O1a O    28.1971  -15.1109
            15  C8y C    25.7351  -19.2764
            16  O1a O    29.3414  -21.4170
            17  C5x C    24.5331  -17.1680
            18  O2a O    31.7842  -20.0286
            19  C8y C    31.8420  -15.8631
            20  C5a C    30.6334  -13.7353
            21  C5x C    24.5203  -19.9771
            22  C8y C    23.3119  -17.8622
            23  O5x O    24.5203  -15.7602
            24  C1y C    32.9927  -20.7291
            25  C1a C    33.0505  -15.1432
            26  N1b N    31.8485  -13.0283
            27  O5a O    29.4122  -13.0346
            28  C8y C    23.3054  -19.2700
            29  O5x O    24.5074  -21.3784
            30  C8x C    22.1034  -17.1615
            31  C1y C    32.9862  -22.1241
            32  O2x O    34.2076  -20.0349
            33  C1c C    31.8420  -11.6333
            34  C8y C    22.1034  -19.9706
            35  C8y C    20.8820  -17.8622
            36  C1y C    34.1947  -22.8311
            37  O1a O    31.7713  -22.8183
            38  C1y C    35.4096  -20.7420
            39  C6a C    33.0505  -10.9262
            40  C1a C    30.6271  -10.9328
            41  C8x C    20.8820  -19.2700
            42  O1a O    22.0905  -21.3784
            43  O2a O    19.6606  -17.1615
            44  C1y C    35.4033  -22.1369
            45  O2a O    34.1753  -24.2196
            46  C1a C    36.6116  -20.0286
            47  O6a O    34.2525  -11.6204
            48  O6a O    33.0440   -9.5249
            49  C1a C    18.4457  -17.8559
            50  N1b N    36.6053  -22.8311
            51  C1y C    32.9670  -24.9140
            52  C1a C    37.8138  -22.1241
            53  C1y C    32.9670  -26.3153
            54  O2x O    31.7519  -24.2132
            55  C1y C    31.7519  -27.0158
            56  O1a O    34.1690  -27.0095
            57  C1x C    30.5370  -24.9140
            58  C1y C    30.5370  -26.3153
            59  O1a O    31.7456  -28.4044
            60  O1a O    29.3222  -27.0031
BOND        66
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Down
            18   12  19 2
            19   13  20 1
            20   15  21 1
            21   17  22 1
            22   17  23 2
            23   24  18 1 #Down
            24   19  25 1
            25   20  26 1
            26   20  27 2
            27   21  28 1
            28   21  29 2
            29   22  30 1
            30   24  31 1
            31   24  32 1
            32   26  33 1
            33   28  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 1 #Up
            37   32  38 1
            38   33  39 1
            39   33  40 1
            40   34  41 2
            41   34  42 1
            42   35  43 1
            43   36  44 1
            44   36  45 1 #Down
            45   38  46 1 #Down
            46   39  47 1
            47   39  48 2
            48   43  49 1
            49   44  50 1 #Down
            50   51  45 1 #Up
            51   50  52 1
            52   51  53 1
            53   51  54 1
            54   53  55 1
            55   53  56 1 #Down
            56   54  57 1
            57   55  58 1
            58   55  59 1 #Up
            59   58  60 1 #Down
            60    8  11 1
            61    9  15 2
            62   13  19 1
            63   22  28 2
            64   35  41 1
            65   38  44 1
            66   57  58 1

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