KEGG   COMPOUND: C12480Help
Entry
C12480                      Compound                               

Name
Coumermycin D
Formula
C43H49N3O18
Exact mass
895.3011
Mol weight
895.8585
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01130  Biosynthesis of antibiotics
Brite
Glycosides [BR:br08021]
 O-glycosides
  Coumarin glycosides
   C12480  Coumermycin D
BRITE hierarchy
Other DBs
PubChem: 582870
ChEBI: 31434
3DMET: B04533
NIKKAJI: J1.844.293K
LinkDB All DBs
KCF data Show

ATOM        64
            1   C8y C    24.1058  -14.6469
            2   C8x C    24.5262  -13.3155
            3   N4x N    25.9277  -13.3155
            4   C8y C    26.3482  -14.6469
            5   C8y C    25.2270  -15.4878
            6   C5a C    27.5395  -15.3477
            7   N1b N    28.8008  -14.6469
            8   C8y C    29.9220  -15.3477
            9   C5a C    22.9145  -15.3477
            10  N1b N    21.6532  -14.6469
            11  C8y C    20.4619  -15.3477
            12  C1a C    25.2270  -16.8893
            13  O5a O    27.5395  -16.7492
            14  O5a O    22.9145  -16.7492
            15  C8y C    29.9220  -16.7492
            16  O7x O    31.1834  -17.4499
            17  C8y C    32.3746  -16.7492
            18  C8y C    32.3746  -15.3477
            19  C8y C    31.1834  -14.6469
            20  C8y C    19.2005  -14.6469
            21  C8y C    18.0793  -15.3477
            22  C8y C    18.0793  -16.7492
            23  O7x O    19.2706  -17.4499
            24  C8y C    20.4619  -16.7492
            25  C8x C    16.8881  -14.5769
            26  C8x C    15.6267  -15.2776
            27  C8y C    15.6267  -16.6791
            28  C8y C    16.8180  -17.3799
            29  C8y C    33.6360  -17.3799
            30  C8y C    34.8273  -16.6791
            31  C8x C    34.8273  -15.2776
            32  C8x C    33.4958  -14.5769
            33  O6a O    28.7307  -17.3799
            34  C1a C    33.6360  -18.8514
            35  O2a O    36.0185  -17.3098
            36  C1a C    16.8180  -18.8514
            37  O6a O    21.6532  -17.3799
            38  O2a O    14.3654  -17.3098
            39  O1a O    19.2005  -13.2454
            40  O1a O    31.1834  -13.2454
            41  C1y C    37.2057  -16.5650
            42  C1y C    13.1517  -18.0105
            43  O2x O    38.4366  -17.2165
            44  C1z C    39.6238  -16.4715
            45  C1y C    39.6422  -15.0710
            46  C1y C    38.3413  -14.4195
            47  C1y C    37.2242  -15.1644
            48  O1a O    35.8930  -14.4973
            49  O1a O    38.2902  -13.0358
            50  O2a O    40.7753  -14.3159
            51  C1a C    40.9776  -16.1088
            52  C1a C    40.6148  -17.4626
            53  O2x O    11.9549  -17.3194
            54  C1z C    10.7411  -18.0201
            55  C1y C    10.7409  -19.4216
            56  C1y C    11.9377  -20.1127
            57  C1y C    13.1515  -19.4120
            58  C1a C     9.5086  -17.1681
            59  C1a C     9.5168  -18.5867
            60  C1a C    42.0125  -14.9705
            61  O1a O    14.3820  -20.1228
            62  O1a O    11.9375  -21.5141
            63  O2a O     9.5168  -20.1282
            64  C1a C     8.3066  -19.7798
BOND        70
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13    6  13 2
            14    9  14 2
            15    8  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    8  19 2
            21   11  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   11  24 1
            27   21  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   22  28 2
            32   17  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   18  32 2
            37   15  33 2
            38   29  34 1
            39   30  35 1
            40   28  36 1
            41   24  37 2
            42   27  38 1
            43   20  39 1
            44   19  40 1
            45   41  35 1 #Up
            46   42  38 1 #Up
            47   41  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   46  47 1
            52   41  47 1
            53   47  48 1 #Down
            54   46  49 1 #Down
            55   45  50 1 #Up
            56   44  51 1
            57   44  52 1
            58   42  53 1
            59   53  54 1
            60   54  55 1
            61   55  56 1
            62   56  57 1
            63   42  57 1
            64   54  58 1
            65   54  59 1
            66   50  60 1
            67   57  61 1 #Down
            68   56  62 1 #Down
            69   55  63 1 #Up
            70   63  64 1

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