KEGG   COMPOUND: C15730
Entry
C15730                      Compound                               
Name
Chivosazole C
Formula
C47H67NO12
Exact mass
837.4663
Mol weight
838.0344
Structure
Sequence
0 Mak  1 Mak  2 Mtk  3 Mtd  4 Mad  5 Mad  6 Mak  7 Mak  8 Mtn
9 Ser  10 Mad  11 Mak  12 Mtd  13 Mtd  14 Mad  15 Mad  16 Man
  Gene
0-3 chiB [UP:Q2N3T1]; 4-8 chiC [UP:Q2N3T0]; 9-10 chiD
[UP:Q2N3S9]; 11-13 chiE [UP:Q2N3S8]; 14-16 chiF [UP:Q2N3S7]
  Organism
Polyangium cellulosum
  Type
PKNRP
Other DBs
PubChem: 47205056
ChEBI: 80059
NIKKAJI: J873.538G
LinkDB
KCF data

ATOM        60
            1   C8y C    33.0400  -23.5200
            2   C2b C    33.0400  -24.9200
            3   C2b C    34.2300  -25.6200
            4   C1a C    35.4900  -24.9200
            5   C2b C    34.2300  -27.0200
            6   C2b C    35.4900  -27.6500
            7   C1c C    36.6800  -27.0200
            8   C1c C    36.6800  -25.6200
            9   N5x N    34.1600  -22.6800
            10  C8y C    33.7400  -21.4200
            11  O2x O    32.3400  -21.4200
            12  C8x C    31.9900  -22.6800
            13  C1c C    34.5800  -20.3000
            14  C1c C    34.5800  -18.9000
            15  C1b C    35.7700  -18.2000
            16  C1c C    37.0300  -18.9000
            17  C2b C    38.1500  -18.2000
            18  C2b C    39.3400  -18.9000
            19  C2b C    40.6000  -18.2000
            20  C2b C    41.7900  -18.9000
            21  C2b C    42.9100  -18.2000
            22  C2b C    44.1700  -18.9000
            23  C1a C    35.9100  -20.7200
            24  O2a O    33.3900  -18.2000
            25  O1a O    37.0300  -20.3000
            26  C1c C    44.1700  -20.3000
            27  C1a C    42.9800  -21.0000
            28  C1c C    45.3600  -21.0000
            29  O7a O    45.3600  -22.3300
            30  C7a C    46.4100  -23.6600
            31  C2b C    37.3800  -24.4300
            32  C2c C    38.7100  -24.4300
            33  C1a C    39.4100  -25.6200
            34  C2b C    39.4100  -23.2400
            35  C2b C    40.8100  -23.2400
            36  C2b C    41.5100  -24.4300
            37  C2b C    42.8400  -24.4300
            38  C2b C    43.5400  -25.6200
            39  C2b C    44.9400  -25.6200
            40  O6a O    47.8100  -23.6600
            41  O2a O    37.8700  -27.6500
            42  C1c C    46.5500  -20.3000
            43  C1c C    47.7400  -21.0000
            44  C1b C    48.9300  -20.3000
            45  C1c C    50.1200  -21.0000
            46  C1a C    51.3800  -20.3000
            47  C1a C    46.5500  -18.9000
            48  O1a O    47.7400  -22.3300
            49  O1a O    50.1200  -22.3300
            50  C1a C    32.2000  -18.9000
            51  C1y C    37.8700  -29.0500
            52  C1y C    36.6100  -29.7500
            53  C1y C    36.6100  -31.1500
            54  C1y C    37.8000  -31.8500
            55  C1y C    39.0600  -31.1500
            56  O2x O    39.0600  -29.7500
            57  C1a C    40.2500  -31.8500
            58  O1a O    37.8000  -33.1800
            59  O1a O    35.4900  -31.8500
            60  O1a O    35.4200  -29.0500
BOND        62
            1     1   2 1
            2     2   3 2
            3     3   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   13  23 1
            24   14  24 1
            25   16  25 1
            26   22  26 1
            27   26  27 1
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   31  32 2
            32   32  33 1
            33   32  34 1
            34   34  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   31   8 1
            40   30  39 1
            41   30  40 2
            42    7  41 1
            43   28  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  47 1
            49   43  48 1
            50   45  49 1
            51   24  50 1
            52   51  41 1 #Down
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   51  56 1
            59   55  57 1 #Down
            60   54  58 1 #Up
            61   53  59 1 #Down
            62   52  60 1 #Up

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