KEGG   COMPOUND: C14816Help
Entry
C14816                      Compound                               

Name
Sch 59884
Formula
C41H49F2N8O9P
Exact mass
866.3328
Mol weight
866.8465
Structure
Mol fileKCF fileDB search
Pathway
map07026  Antifungal agents
Other DBs
CAS: 200346-83-4
PubChem: 17395814
ChEBI: 34971
NIKKAJI: J1.659.071A
LinkDB All DBs
KCF data Show

ATOM        61
            1   C8x C    20.1668  -15.3363
            2   C8x C    21.5673  -15.3363
            3   C8y C    22.2675  -14.1458
            4   C8x C    21.5673  -12.8853
            5   C8x C    20.1668  -12.8853
            6   C8y C    19.4665  -14.1458
            7   N1y N    23.6681  -14.1458
            8   C1x C    24.3683  -15.3363
            9   C1x C    25.7688  -15.3363
            10  N1y N    26.4690  -14.1458
            11  C1x C    25.7688  -12.8853
            12  C1x C    24.3683  -12.8853
            13  C8y C    27.8695  -14.1458
            14  C8x C    28.5698  -15.3363
            15  C8x C    29.9702  -15.3363
            16  C8y C    30.6706  -14.1458
            17  C8x C    29.9702  -12.9553
            18  C8x C    28.5698  -12.9553
            19  O2a O    32.0710  -14.1458
            20  C1b C    32.7712  -15.3363
            21  C1y C    34.1718  -15.3363
            22  C1x C    35.0120  -16.4566
            23  C1z C    36.3426  -16.0365
            24  O2x O    36.3426  -14.6360
            25  C1x C    35.0120  -14.2158
            26  C8y C    36.3426  -17.4369
            27  C1b C    37.5330  -15.3363
            28  N5x N    38.2332  -11.7650
            29  C8x C    36.8327  -11.7650
            30  N5x N    36.4126  -13.0955
            31  N4y N    37.5330  -13.9357
            32  C8x C    38.6534  -13.0955
            33  C8y C    35.1297  -18.1373
            34  C8x C    35.1297  -19.5377
            35  C8y C    36.3426  -20.2380
            36  C8x C    37.5554  -19.5377
            37  C8x C    37.5554  -18.1373
            38  X   F    33.9338  -17.4465
            39  X   F    36.3426  -21.6385
            40  N4y N    18.0661  -14.1630
            41  C8y C    17.2207  -13.0292
            42  N4y N    15.8810  -13.4829
            43  N5x N    15.8985  -14.8971
            44  C8x C    17.2490  -15.3176
            45  O5x O    17.6385  -11.6871
            46  C1c C    14.7627  -12.6917
            47  C1c C    13.5069  -13.2699
            48  C1a C    12.3525  -12.4536
            49  C1b C    14.8929  -11.2798
            50  C1a C    16.1849  -10.6846
            51  O7a O    13.3814  -14.6297
            52  C7a C    12.6749  -15.8457
            53  C1b C    11.2748  -15.8509
            54  C1b C    10.5793  -17.0659
            55  C1b C     9.1792  -17.0710
            56  O2b O     8.4836  -18.2862
            57  O6a O    13.3636  -17.0370
            58  P1b P     7.0704  -18.2915
            59  O1c O     5.6701  -18.2708
            60  O1c O     7.0702  -16.8707
            61  O1c O     7.0702  -19.6708
BOND        67
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   21  20 1 #Down
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   21  25 1
            29   23  26 1
            30   23  27 1 #Down
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 1
            35   28  32 2
            36   31  27 1
            37   26  33 2
            38   33  34 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   26  37 1
            43   33  38 1
            44   35  39 1
            45    6  40 1
            46   40  41 1
            47   41  42 1
            48   42  43 1
            49   43  44 2
            50   40  44 1
            51   41  45 2
            52   42  46 1
            53   46  47 1
            54   47  48 1
            55   46  49 1 #Down
            56   49  50 1
            57   47  51 1 #Up
            58   51  52 1
            59   52  53 1
            60   53  54 1
            61   54  55 1
            62   55  56 1
            63   52  57 2
            64   56  58 1
            65   58  59 1
            66   58  60 2
            67   58  61 1

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