KEGG   COMPOUND: C08901
Entry
C08901                      Compound                               
Name
Gracillin
Formula
C45H72O17
Exact mass
884.477
Mol weight
885.043
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Furostan
    C08901  Gracillin
Other DBs
CAS: 19083-00-2
PubChem: 11094
ChEBI: 5528
KNApSAcK: C00003579
3DMET: B02509
NIKKAJI: J15.519E
KCF data

ATOM        62
            1   C1y C    21.8844  -18.4256
            2   C1y C    21.9348  -19.7965
            3   O2x O    20.7677  -17.7240
            4   C1y C    20.7503  -20.4651
            5   O2a O    23.1214  -20.4983
            6   C1y C    19.5085  -18.3896
            7   O2a O    20.7386  -21.8338
            8   C1y C    19.5519  -19.7715
            9   C1y C    24.3223  -21.2221
            10  C1b C    18.3916  -17.6878
            11  C1y C    19.5318  -22.5176
            12  O1a O    18.3649  -20.4450
            13  C1y C    25.5197  -20.5545
            14  O2x O    24.2955  -22.5819
            15  O1a O    18.4104  -16.3300
            16  O2x O    18.3501  -21.8187
            17  C1y C    19.5230  -23.8812
            18  C1y C    26.7033  -21.2613
            19  O1a O    25.5469  -19.1596
            20  C1y C    25.4635  -23.3011
            21  C1y C    17.1507  -22.4783
            22  C1y C    18.3225  -24.5539
            23  O1a O    20.7017  -24.5850
            24  C1y C    26.6756  -22.6341
            25  O1a O    27.8948  -20.6037
            26  C1a C    25.4338  -24.6659
            27  C1y C    17.1404  -23.8697
            28  C1b C    15.9799  -21.7860
            29  O1a O    18.3104  -25.9373
            30  O1a O    27.8452  -23.3392
            31  O1a O    15.9420  -24.5368
            32  O1a O    15.9806  -20.4108
            33  C1z C    30.2973  -13.6417
            34  C1y C    31.4915  -12.9792
            35  C1y C    30.2797  -15.0018
            36  C1x C    29.1219  -12.9489
            37  C1a C    30.2856  -12.2632
            38  C1y C    32.6785  -13.6651
            39  C1y C    31.4972  -11.5948
            40  C1y C    29.0986  -15.6758
            41  C1x C    32.7121  -14.9680
            42  C1x C    27.9290  -13.6114
            43  O2x O    33.8539  -12.9852
            44  C1z C    33.8539  -11.6007
            45  C1a C    30.5240  -10.6344
            46  C1y C    27.9232  -14.9901
            47  C1x C    29.0986  -17.0546
            48  C1x C    35.0409  -12.2866
            49  O2x O    33.8596  -10.2407
            50  C1z C    26.7233  -15.6700
            51  C2x C    27.8987  -17.7345
            52  C1x C    36.2221  -11.6007
            53  C1x C    35.0467   -9.5479
            54  C2y C    26.7174  -17.0487
            55  C1x C    25.5362  -14.9842
            56  C1a C    26.7116  -14.2973
            57  C1y C    36.1707  -10.2407
            58  C1x C    25.5362  -17.7345
            59  C1x C    24.3550  -15.6700
            60  C1a C    37.4218   -9.5479
            61  C1y C    24.3550  -17.0487
            62  O2a O    23.1679  -17.7345
BOND        70
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Down
            5     3   6 1
            6     4   7 1 #Up
            7     4   8 1
            8     9   5 1 #Up
            9     6  10 1 #Up
            10   11   7 1 #Up
            11    8  12 1 #Down
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   13  18 1
            18   13  19 1 #Down
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1 #Down
            23   18  24 1
            24   18  25 1 #Down
            25   20  26 1 #Down
            26   21  27 1
            27   21  28 1 #Up
            28   22  29 1 #Up
            29   24  30 1 #Up
            30   27  31 1 #Down
            31   28  32 1
            32    6   8 1
            33   20  24 1
            34   22  27 1
            35   33  34 1
            36   33  35 1
            37   33  36 1
            38   33  37 1 #Up
            39   34  38 1
            40   34  39 1
            41   35  40 1
            42   35  41 1
            43   36  42 1
            44   38  43 1
            45   39  44 1
            46   39  45 1 #Down
            47   40  46 1
            48   40  47 1
            49   44  48 1
            50   44  49 1 #Down
            51   46  50 1
            52   47  51 1
            53   48  52 1
            54   49  53 1
            55   50  54 1
            56   50  55 1
            57   50  56 1 #Up
            58   52  57 1
            59   54  58 1
            60   55  59 1
            61   57  60 1 #Down
            62   58  61 1
            63   61  62 1 #Up
            64   38  41 1
            65   42  46 1
            66   43  44 1
            67   51  54 2
            68   53  57 1
            69   59  61 1
            70    1  62 1 #Up

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