KEGG   COMPOUND: C06788
Entry
C06788                      Compound                               
Name
Benanomicin A
Formula
C39H41NO19
Exact mass
827.2273
Mol weight
827.7381
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C06788  Benanomicin A
Other DBs
CAS: 116249-65-1
PubChem: 9008
ChEBI: 3010
KNApSAcK: C00017923
LinkDB
KCF data

ATOM        59
            1   C8y C    30.0243  -17.1943
            2   C8y C    28.7394  -17.8757
            3   C8y C    31.2200  -17.9143
            4   C8y C    30.0500  -15.7993
            5   C8y C    28.7837  -19.2772
            6   C8y C    27.6008  -17.1686
            7   C1y C    31.2072  -19.3093
            8   C8x C    32.4478  -17.2392
            9   C8y C    31.2713  -15.1179
            10  O1a O    28.8286  -15.0922
            11  C8x C    27.5751  -19.9715
            12  C1y C    29.9857  -19.9972
            13  C8y C    26.3794  -17.8500
            14  O1a O    27.5880  -15.7607
            15  O2a O    32.4156  -20.0100
            16  C8y C    32.4735  -15.8444
            17  C5a C    31.2650  -13.7101
            18  C8y C    26.3665  -19.2515
            19  O1a O    29.9729  -21.3985
            20  C5x C    25.1645  -17.1494
            21  C1y C    33.6241  -20.7106
            22  C1a C    33.6821  -15.1245
            23  N1b N    32.4799  -13.0095
            24  O5a O    30.0435  -13.0158
            25  C5x C    25.1516  -19.9586
            26  C8y C    23.9430  -17.8436
            27  O5x O    25.1516  -15.7415
            28  C1y C    33.6178  -22.1056
            29  O2x O    34.8391  -20.0164
            30  C1c C    32.4735  -11.6082
            31  C8y C    23.9367  -19.2450
            32  O5x O    25.1387  -21.3599
            33  C8x C    22.7344  -17.1429
            34  C1y C    34.8262  -22.8127
            35  O1a O    32.4027  -22.7999
            36  C1y C    36.0413  -20.7172
            37  C6a C    33.6821  -10.9011
            38  C1a C    31.2586  -10.9137
            39  C8y C    22.7344  -19.9521
            40  C8y C    21.5132  -17.8436
            41  O2a O    34.8070  -24.2012
            42  C1y C    36.0348  -22.1185
            43  C1a C    37.2434  -20.0100
            44  O6a O    34.8842  -11.6016
            45  O6a O    33.6756   -9.5061
            46  C8x C    21.5132  -19.2450
            47  O1a O    22.7216  -21.3599
            48  O2a O    20.2917  -17.1429
            49  C1y C    33.5984  -24.8954
            50  O1a O    37.2368  -22.8127
            51  C1a C    19.0768  -17.8371
            52  C1y C    33.5984  -26.2970
            53  O2x O    32.3835  -24.1949
            54  C1y C    32.3835  -26.9976
            55  O1a O    34.8007  -26.9912
            56  C1x C    31.1686  -24.8954
            57  C1y C    31.1686  -26.2970
            58  O1a O    32.3772  -28.3862
            59  O1a O    29.9537  -26.9847
BOND        65
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1 #Down
            15    8  16 2
            16    9  17 1
            17   11  18 1
            18   12  19 1 #Up
            19   13  20 1
            20   21  15 1 #Down
            21   16  22 1
            22   17  23 1
            23   17  24 2
            24   18  25 1
            25   20  26 1
            26   20  27 2
            27   21  28 1
            28   21  29 1
            29   23  30 1
            30   25  31 1
            31   25  32 2
            32   26  33 1
            33   28  34 1
            34   28  35 1 #Up
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   31  39 1
            39   33  40 2
            40   34  41 1 #Down
            41   34  42 1
            42   36  43 1 #Down
            43   37  44 1
            44   37  45 2
            45   39  46 2
            46   39  47 1
            47   40  48 1
            48   49  41 1 #Up
            49   42  50 1 #Down
            50   48  51 1
            51   49  52 1
            52   49  53 1
            53   52  54 1
            54   52  55 1 #Down
            55   53  56 1
            56   54  57 1
            57   54  58 1 #Up
            58   57  59 1 #Down
            59    7  12 1
            60    9  16 1
            61   13  18 2
            62   26  31 2
            63   36  42 1
            64   40  46 1
            65   56  57 1

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