KEGG   COMPOUND: C10803Help
Entry
C10803                      Compound                               

Name
Demissine
Formula
C50H83NO20
Exact mass
1017.5508
Mol weight
1018.1887
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10803  Demissine
BRITE hierarchy
Other DBs
CAS: 6077-69-6
PubChem: 12986
ChEBI: 4399
KNApSAcK: C00002248
3DMET: B04137
NIKKAJI: J407.668K
KCF data Show

ATOM        71
            1   C1y C    25.6202  -17.0062
            2   O2x O    24.3865  -16.3175
            3   C1y C    25.6549  -18.4149
            4   C1y C    23.1711  -17.0652
            5   C1y C    24.4431  -19.1495
            6   O1a O    26.8870  -19.0897
            7   C1y C    23.2009  -18.4698
            8   C1b C    21.9380  -16.4004
            9   O1a O    24.4607  -20.5642
            10  O2a O    21.9995  -19.2156
            11  O1a O    21.8933  -14.9687
            12  C1y C    20.7509  -18.5206
            13  C1y C    19.5458  -19.2415
            14  O2x O    20.7448  -17.1093
            15  C1y C    18.3074  -18.5399
            16  O2a O    19.5499  -20.6542
            17  C1y C    19.5438  -16.4045
            18  O2a O    17.0848  -19.2495
            19  C1y C    18.3148  -17.1094
            20  C1y C    19.5862  -22.0586
            21  C1b C    19.5138  -15.0108
            22  C1y C    15.8499  -18.5420
            23  O1a O    17.0830  -16.4197
            24  O2x O    18.4433  -22.7854
            25  C1y C    20.8853  -22.7466
            26  O2x O    15.8459  -17.1294
            27  C1y C    14.6396  -19.2549
            28  C1y C    18.3860  -24.1869
            29  C1y C    20.8292  -24.1538
            30  O1a O    22.0334  -22.0148
            31  C1x C    14.6162  -16.4228
            32  C1y C    13.4144  -18.5543
            33  O1a O    14.6415  -20.6723
            34  C1y C    19.6131  -24.8648
            35  C1b C    17.1631  -24.9019
            36  O1a O    22.0509  -24.8531
            37  C1y C    13.4594  -17.1394
            38  O1a O    12.1894  -19.2749
            39  O1a O    19.6377  -26.2795
            40  O1a O    15.9399  -24.2120
            41  O1a O    12.1747  -16.4458
            42  O2a O    26.8339  -16.2752
            43  C1x C    28.0661  -14.1721
            44  C1y C    28.0661  -15.5561
            45  C1x C    29.2798  -16.2482
            46  C1x C    29.2798  -13.4659
            47  C1z C    30.4795  -14.1721
            48  C1y C    30.4664  -15.5561
            49  C1x C    31.6742  -16.2533
            50  C1x C    32.8881  -15.5736
            51  C1y C    31.6792  -13.4783
            52  C1y C    32.8881  -14.1783
            53  C1x C    32.9039  -11.4037
            54  C1x C    31.7047  -12.0768
            55  C1z C    34.0988  -12.0966
            56  C1y C    34.0968  -13.4962
            57  C1x C    35.4179  -13.9374
            58  C1y C    35.4256  -11.6868
            59  C1y C    36.2359  -12.8187
            60  C1y C    36.2559  -10.5645
            61  C1y C    37.5725  -10.9981
            62  N1y N    37.5634  -12.3927
            63  C1x C    38.7583  -13.0944
            64  C1y C    39.9768  -12.4086
            65  C1x C    39.9859  -11.0141
            66  C1x C    38.7907  -10.3125
            67  C1a C    30.4670  -12.7741
            68  C1a C    34.0893  -10.7122
            69  C1a C    35.8829   -9.2082
            70  C1a C    41.1717  -13.0988
            71  O1a O    18.2864  -14.3369
BOND        80
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Up
            10    8  11 1
            11    1  42 1 #Up
            12   12  10 1 #Up
            13   12  13 1
            14   12  14 1
            15   13  15 1
            16   13  16 1 #Down
            17   14  17 1
            18   15  18 1 #Up
            19   15  19 1
            20   20  16 1 #Up
            21   17  21 1 #Up
            22   22  18 1 #Up
            23   19  23 1 #Down
            24   20  24 1
            25   20  25 1
            26   22  26 1
            27   22  27 1
            28   24  28 1
            29   25  29 1
            30   25  30 1 #Down
            31   26  31 1
            32   27  32 1
            33   27  33 1 #Down
            34   28  34 1
            35   28  35 1 #Up
            36   29  36 1 #Up
            37   31  37 1
            38   32  38 1 #Up
            39   34  39 1 #Down
            40   35  40 1
            41   37  41 1 #Down
            42    5   7 1
            43   17  19 1
            44   29  34 1
            45   32  37 1
            46   48  49 1
            47   49  50 1
            48   50  52 1
            49   51  47 1
            50   51  52 1
            51   52  56 1
            52   55  53 1
            53   53  54 1
            54   54  51 1
            55   55  56 1
            56   56  57 1
            57   57  59 1
            58   58  55 1
            59   47  67 1 #Up
            60   43  44 1
            61   44  45 1
            62   58  59 1
            63   55  68 1 #Up
            64   59  62 1
            65   61  60 1
            66   60  58 1
            67   60  69 1 #Down
            68   45  48 1
            69   47  46 1
            70   64  70 1 #Down
            71   46  43 1
            72   61  62 1
            73   62  63 1
            74   63  64 1
            75   64  65 1
            76   65  66 1
            77   66  61 1
            78   47  48 1
            79   44  42 1 #Up
            80   21  71 1

» Japanese version

DBGET integrated database retrieval system