KEGG   DRUG: Rutamycin
Entry
D05778                      Drug                                   
Name
Rutamycin (USAN/INN)
Formula
C44H72O11
Exact mass
776.5075
Mol weight
777.0359
Structure
Simcomp
Remark
Same as: C11314
Efficacy
Antifungal
Other DBs
CAS: 1404-59-7
PubChem: 47207439
ChEBI: 7753
LigandBox: D05778
NIKKAJI: J14.347B
KCF data

ATOM        55
            1   C1y C    24.2313  -28.8523
            2   C1b C    25.4220  -29.5527
            3   C1c C    26.8929  -28.8523
            4   O1a O    26.8929  -27.4515
            5   C1x C    21.8500  -27.4515
            6   C1x C    21.8500  -28.8523
            7   C1y C    23.0407  -29.5527
            8   O2x O    24.2313  -27.4515
            9   C1z C    23.0407  -26.7511
            10  C1b C    18.3480  -18.4163
            11  C1c C    19.5386  -17.7159
            12  C2b C    18.3480  -19.8171
            13  C2b C    17.1573  -20.5175
            14  C2b C    17.1573  -21.8483
            15  C2b C    18.3480  -22.5487
            16  C1c C    18.3480  -23.9495
            17  C1b C    19.5386  -24.6499
            18  C1c C    20.7293  -18.4163
            19  C1d C    21.9200  -17.7159
            20  C5a C    23.1107  -18.4163
            21  C1c C    24.3714  -17.7159
            22  C1c C    25.5621  -18.4163
            23  C5a C    28.0135  -18.4163
            24  C1c C    26.7528  -17.7159
            25  C1c C    28.0135  -19.8171
            26  C1c C    29.1342  -21.9183
            27  C1c C    29.2042  -20.5175
            28  C2b C    27.9435  -22.6187
            29  C7a C    26.6828  -24.7199
            30  C2b C    27.9435  -24.0195
            31  O7a O    25.4921  -23.9495
            32  C1y C    24.2313  -24.6499
            33  C1y C    23.0407  -23.9495
            34  C1b C    20.6593  -23.8795
            35  C1y C    21.8500  -24.5799
            36  C1a C    19.5386  -16.3151
            37  O1a O    20.7293  -19.8171
            38  C1a C    22.9006  -16.7354
            39  O1a O    20.9395  -16.7354
            40  O5a O    23.1107  -19.8171
            41  C1a C    24.3714  -16.3151
            42  O1a O    25.5621  -19.8171
            43  C1a C    26.7528  -16.3151
            44  O5a O    29.2042  -17.7159
            45  C1a C    26.7528  -20.5175
            46  O1a O    30.3949  -19.8171
            47  C1a C    30.3949  -22.6187
            48  O6a O    26.6828  -26.1207
            49  C1a C    23.0407  -22.5487
            50  C1b C    17.0872  -24.6499
            51  C1a C    15.8966  -23.9495
            52  C1x C    24.2313  -26.0507
            53  O2x O    21.8500  -26.0507
            54  C1a C    23.0407  -30.9535
            55  C1a C    28.0836  -29.5527
BOND        57
            1    29  30 1
            2     5   9 1
            3     6   7 1
            4    31  32 1
            5    33  32 1
            6     7   1 1
            7    15  16 1
            8    16  17 1
            9    33  35 1
            10   34  35 1
            11   17  34 1
            12   11  36 1 #Up
            13    1   8 1
            14   18  37 1 #Up
            15    9   8 1 #Down
            16   19  38 1 #Down
            17   18  19 1
            18   19  39 1 #Up
            19   20  19 1
            20   20  40 2
            21   10  12 1
            22   21  41 1 #Up
            23   22  42 1 #Up
            24   20  21 1
            25   24  43 1 #Up
            26   22  21 1
            27   23  44 2
            28    1   2 1
            29   25  45 1 #Down
            30   10  11 1
            31   27  46 1 #Down
            32   18  11 1
            33   26  47 1 #Up
            34   22  24 1
            35   29  48 2
            36   25  23 1
            37   23  24 1
            38   33  49 1 #Up
            39    2   3 1
            40    3   4 1 #Down
            41    5   6 1
            42   16  50 1
            43   25  27 1
            44   50  51 1
            45   28  26 1
            46   32  52 1
            47   26  27 1
            48   52   9 1
            49   12  13 2
            50    9  53 1
            51   53  35 1
            52   13  14 1
            53    7  54 1 #Up
            54   14  15 2
            55   28  30 2
            56    3  55 1
            57   31  29 1

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