KEGG   COMPOUND: C08894Help
Entry
C08894                      Compound                               

Name
Deltonin
Formula
C45H72O17
Exact mass
884.477
Mol weight
885.043
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08894  Deltonin
BRITE hierarchy
Other DBs
CAS: 55659-75-1
PubChem: 11087
ChEBI: 4389
ChEMBL: CHEMBL2207416
KNApSAcK: C00003571
3DMET: B02502
NIKKAJI: J617.408F
KCF data Show

ATOM        62
            1   C1y C    26.8007  -23.4297
            2   C1y C    27.9938  -22.7467
            3   O2x O    26.7922  -24.8018
            4   C1y C    29.1705  -23.4336
            5   O1a O    27.9884  -21.3743
            6   C1y C    27.9770  -25.4909
            7   C1y C    29.1600  -24.8136
            8   O1a O    30.3616  -22.7584
            9   C1a C    27.9657  -26.8580
            10  O1a O    30.3448  -25.5027
            11  C1y C    19.5703  -23.5215
            12  O2x O    18.4663  -22.8191
            13  C1y C    19.6172  -24.9016
            14  C1y C    17.1884  -23.4890
            15  C1y C    18.4198  -25.5661
            16  O1a O    20.8125  -25.6193
            17  C1y C    17.2381  -24.8611
            18  C1b C    16.0817  -22.7813
            19  O1a O    18.3968  -26.9330
            20  O1a O    16.0407  -25.5254
            21  C1y C    24.3644  -20.6969
            22  C1y C    24.3939  -22.0710
            23  O2x O    23.1762  -20.0435
            24  C1y C    23.2383  -22.7862
            25  O2a O    25.5986  -22.7335
            26  C1y C    22.0740  -20.7496
            27  C1y C    22.0338  -22.1235
            28  O1a O    23.2508  -24.1520
            29  C1b C    20.7993  -20.0869
            30  O2a O    20.8581  -22.8358
            31  C1z C    32.8612  -16.2550
            32  C1y C    34.0477  -15.5910
            33  C1y C    32.8307  -17.6181
            34  C1x C    31.6733  -15.5617
            35  C1a C    32.8365  -14.8802
            36  C1y C    35.2402  -16.2842
            37  C1y C    34.0535  -14.2162
            38  C1y C    31.6500  -18.2998
            39  C1x C    35.2053  -17.6532
            40  C1x C    30.4811  -16.2316
            41  O2x O    36.4092  -15.5968
            42  C1z C    36.4152  -14.2162
            43  C1a C    33.0832  -13.2469
            44  C1y C    30.4694  -17.6064
            45  C1x C    31.6500  -19.6746
            46  C1x C    37.6017  -14.8977
            47  O2x O    36.4152  -12.8471
            48  C1z C    29.2825  -18.2881
            49  C2x C    30.4518  -20.3372
            50  C1x C    38.7884  -14.2162
            51  C1x C    37.6017  -12.1597
            52  C2y C    29.2825  -19.6441
            53  C1x C    28.0960  -17.6007
            54  C1a C    29.2710  -16.9133
            55  C1y C    38.7884  -12.8531
            56  C1x C    28.0960  -20.3372
            57  C1x C    26.9095  -18.2881
            58  C1a C    39.9749  -12.1597
            59  C1y C    26.9095  -19.6441
            60  O2a O    25.7228  -20.3372
            61  O1a O    19.5934  -20.8168
            62  O1a O    14.8841  -23.4440
BOND        70
            1    12  14 1
            2    13  15 1
            3    13  16 1 #Down
            4    14  17 1
            5    14  18 1 #Up
            6    15  19 1 #Up
            7    17  20 1 #Down
            8    15  17 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    2   5 1 #Down
            13    3   6 1
            14    4   7 1
            15    4   8 1 #Down
            16    6   9 1 #Down
            17    7  10 1 #Up
            18    6   7 1
            19   21  22 1
            20   21  23 1
            21   22  24 1
            22   22  25 1 #Down
            23   23  26 1
            24   24  27 1
            25   24  28 1 #Up
            26   26  29 1 #Up
            27   27  30 1 #Down
            28   26  27 1
            29   11  12 1
            30   11  13 1
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 1
            39   34  40 1
            40   36  41 1
            41   37  42 1
            42   37  43 1 #Down
            43   38  44 1
            44   38  45 1
            45   42  46 1
            46   42  47 1 #Down
            47   44  48 1
            48   45  49 1
            49   46  50 1
            50   47  51 1
            51   48  52 1
            52   48  53 1
            53   48  54 1 #Up
            54   50  55 1
            55   52  56 1
            56   53  57 1
            57   55  58 1 #Down
            58   56  59 1
            59   59  60 1 #Up
            60   36  39 1
            61   40  44 1
            62   41  42 1
            63   49  52 2
            64   51  55 1
            65   57  59 1
            66   21  60 1 #Up
            67   11  30 1 #Up
            68    1  25 1 #Up
            69   29  61 1
            70   18  62 1

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