KEGG   COMPOUND: C12050
Entry
C12050                      Compound                               
Name
Everninomycin;
Everninomicin
Formula
C70H97Cl2NO38
Exact mass
1629.5066
Mol weight
1631.4091
Structure
Other DBs
CAS: 53024-98-9
PubChem: 14205
ChEBI: 29581
NIKKAJI: J1.666.373E
LinkDB
KCF data

ATOM        111
            1   C1z C    28.8787  -20.6869
            2   C1x C    28.1875  -21.8934
            3   C1y C    28.1736  -19.4815
            4   C1y C    26.7838  -19.4894
            5   O2x O    26.0925  -20.7029
            6   C1y C    26.7976  -21.9014
            7   C1y C    25.4073  -24.3136
            8   C1x C    24.0174  -24.3065
            9   C1y C    23.3200  -25.5057
            10  O2x O    24.0053  -26.7122
            11  C1y C    25.3951  -26.7191
            12  C1y C    26.0997  -25.5199
            13  C1y C    21.9345  -23.0857
            14  C1x C    21.2289  -21.8863
            15  C1z C    19.8324  -21.8906
            16  O2x O    19.1411  -23.0942
            17  C1y C    19.8396  -24.3078
            18  C1y C    21.2363  -24.3036
            19  C1y C    18.0889  -20.3932
            20  C1z C    19.2766  -19.6814
            21  O2x O    18.1779  -21.9229
            22  O2x O    20.4887  -20.3566
            23  C1z C    31.7919  -13.3252
            24  C1y C    32.4834  -14.5318
            25  C1y C    33.8669  -14.5364
            26  C1y C    34.5588  -13.3341
            27  C1x C    33.8745  -12.1419
            28  O2x O    32.4910  -12.1375
            29  O2x O    31.7810  -15.7324
            30  O2x O    34.5544  -15.7412
            31  C1x C    33.2092  -16.7120
            32  C1y C    29.6408  -14.1403
            33  C1y C    29.5998  -12.7574
            34  O2x O    30.8739  -14.7968
            35  O2x O    30.7781  -12.0248
            36  C1y C    16.9197  -12.7423
            37  C1y C    16.9197  -14.1324
            38  C1y C    18.1253  -14.8309
            39  C1y C    19.3240  -14.1324
            40  C1y C    19.3240  -12.7423
            41  O2x O    18.1253  -12.0509
            42  O2a O    20.5271  -12.0519
            43  C1y C    22.3665  -12.7442
            44  C1y C    22.4299  -14.1322
            45  C1y C    23.6324  -14.8317
            46  C1y C    24.8285  -14.1341
            47  O2x O    24.8295  -12.7440
            48  C1y C    23.6344  -12.0518
            49  O2a O    26.0377  -14.8334
            50  C1y C    27.2410  -14.1359
            51  C1y C    28.4375  -14.8378
            52  C1x C    28.4396  -12.0579
            53  O2x O    27.2363  -12.7484
            54  O7a O    35.9488  -13.3385
            55  C7a C    36.6436  -14.5437
            56  C8y C    38.0335  -14.5481
            57  O6a O    35.9412  -15.7512
            58  C8y C    38.7225  -15.7551
            59  C8x C    40.1124  -15.7595
            60  C8y C    40.8150  -14.5520
            61  C8x C    40.1200  -13.3468
            62  C8y C    38.7303  -13.3424
            63  C1a C    38.0261  -16.9550
            64  O1a O    38.0325  -12.1464
            65  O1a O    42.2047  -14.5564
            66  O1a O    20.1510  -14.6192
            67  O1a O    21.7893  -15.5360
            68  O2a O    23.6313  -16.2216
            69  C1a C    24.8263  -16.9139
            70  C1b C    23.6332  -10.6619
            71  O2a O    24.8282   -9.9622
            72  C1a C    26.0386  -10.6597
            73  O1a O    28.4338  -16.2277
            74  O2a O    15.7101  -14.8316
            75  C1a C    14.5141  -14.1337
            76  C1a C    15.7101  -12.0504
            77  O2a O    18.1119  -16.2208
            78  C1y C    18.1048  -17.6107
            79  O2x O    16.8987  -18.2961
            80  C1y C    16.8915  -19.6860
            81  C1y C    19.3042  -18.3083
            82  O1a O    20.5105  -17.6230
            83  C1a C    15.6783  -20.3784
            84  O1a O    23.3245  -23.0815
            85  C1a C    19.1520  -25.5126
            86  C1a C    20.4757  -18.9796
            87  O2a O    21.9384  -25.5041
            88  O2a O    26.1119  -23.1072
            89  C1a C    25.3924  -28.1350
            90  O7a O    27.4969  -25.5268
            91  C7a C    28.1822  -26.7333
            92  C8y C    29.5721  -26.7403
            93  O6a O    27.4847  -27.9324
            94  C8y C    30.2591  -27.9412
            95  C8y C    31.6491  -27.9483
            96  C8y C    32.3466  -26.7491
            97  C8y C    31.6613  -25.5428
            98  C8y C    30.2713  -25.5356
            99  O1a O    33.7365  -26.7562
            100 X   Cl   32.3344  -29.1616
            101 O2a O    29.5536  -29.1470
            102 C1a C    28.1637  -29.1389
            103 O2a O    28.8650  -18.2748
            104 C1a C    26.0855  -18.2907
            105 C1a C    29.8595  -19.6921
            106 C1a C    30.2547  -18.2741
            107 X   Cl   32.3588  -24.3435
            108 C1a C    29.5757  -24.3312
            109 N2b N    30.0303  -21.4605 #+
            110 O3a O    30.0234  -22.8505
            111 O3a O    31.3154  -20.9291 #-
BOND        123
            1    52  53 1
            2    53  50 1
            3    24  25 1
            4    26  54 1 #Up
            5    25  26 1
            6    54  55 1
            7    26  27 1
            8    55  56 1
            9    27  28 1
            10   55  57 2
            11   28  23 1
            12    1   3 1
            13   24  29 1 #Up
            14    3   4 1
            15   25  30 1 #Down
            16   56  58 2
            17   58  59 1
            18   59  60 2
            19   60  61 1
            20   61  62 2
            21   62  56 1
            22    4   5 1
            23   58  63 1
            24   29  31 1
            25   62  64 1
            26   30  31 1
            27   60  65 1
            28   13  14 1
            29   39  66 1 #Down
            30   14  15 1
            31   44  67 1 #Up
            32   32  33 1
            33   45  68 1
            34   15  16 1
            35   68  69 1
            36   32  34 1 #Up
            37   48  70 1 #Up
            38   16  17 1
            39   70  71 1
            40   33  35 1 #Down
            41   71  72 1
            42   34  23 1
            43   51  73 1 #Up
            44   23  35 1 #Down
            45   37  74 1 #Up
            46   17  18 1
            47   74  75 1
            48   18  13 1
            49   36  76 1 #Up
            50    5   6 1
            51   38  77 1 #Down
            52    7   8 1
            53   78  77 1 #Up
            54   19  20 1
            55    8   9 1
            56   36  37 1
            57   78  79 1
            58   79  80 1
            59   80  19 1
            60   20  81 1
            61   81  78 1
            62   37  38 1
            63   81  82 1 #Up
            64   38  39 1
            65   80  83 1 #Up
            66   39  40 1
            67   13  84 1 #Up
            68   40  41 1
            69   17  85 1 #Up
            70   41  36 1
            71   20  86 1 #Down
            72   19  21 1 #Down
            73   18  87 1 #Down
            74    9  87 1 #Up
            75   40  42 1 #Up
            76    7  88 1 #Up
            77    6  88 1 #Up
            78    9  10 1
            79   11  89 1 #Up
            80   42  43 1
            81   12  90 1 #Down
            82   20  22 1 #Up
            83   90  91 1
            84   21  15 1
            85   91  92 1
            86   22  15 1
            87   91  93 2
            88   10  11 1
            89   11  12 1
            90   43  44 1
            91   44  45 1
            92   45  46 1
            93   92  94 2
            94   94  95 1
            95   95  96 2
            96   96  97 1
            97   97  98 2
            98   98  92 1
            99   46  47 1
            100  96  99 1
            101  47  48 1
            102  95 100 1
            103  48  43 1
            104  94 101 1
            105  12   7 1
            106 101 102 1
            107  46  49 1 #Up
            108   3 103 1 #Down
            109   6   2 1
            110   4 104 1 #Up
            111  50  49 1 #Down
            112   1 105 1 #Down
            113 103 106 1
            114   2   1 1
            115  97 107 1
            116  23  24 1
            117  98 108 1
            118  50  51 1
            119  51  32 1
            120 109 110 2
            121  33  52 1
            122 109 111 1
            123   1 109 1 #Up

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