KEGG   COMPOUND: C08940
Entry
C08940                      Compound                               
Name
Desglucomusennin
Formula
C45H72O16
Exact mass
868.482
Mol weight
869.0436
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08940  Desglucomusennin
Other DBs
CAS: 25314-45-8
PubChem: 11132
ChEBI: 4446
KNApSAcK: C00003514
3DMET: B02543
NIKKAJI: J2.767.448H
LinkDB
KCF data

ATOM        61
            1   C1y C    17.9402  -19.2572
            2   C1y C    17.9052  -20.6510
            3   O2x O    16.7292  -18.5487
            4   O2a O    19.1067  -21.3755
            5   C1y C    16.6841  -21.3430
            6   C1x C    15.4946  -19.2039
            7   C1y C    19.0818  -22.7890
            8   C1y C    15.4797  -20.6235
            9   O1a O    16.6461  -22.7419
            10  C1y C    20.2849  -23.5215
            11  O2x O    17.8374  -23.4605
            12  O1a O    14.2355  -21.2948
            13  O2a O    21.5271  -22.8424
            14  C1y C    20.3249  -24.9321
            15  C1x C    17.8174  -24.8770
            16  C1y C    22.6506  -23.5689
            17  C1y C    19.0158  -25.6065
            18  O1a O    21.4564  -25.6567
            19  C1y C    23.9528  -22.9040
            20  O2x O    22.6716  -24.9745
            21  O1a O    19.0675  -27.0089
            22  C1y C    25.1450  -23.6435
            23  O1a O    23.9920  -21.5143
            24  C1x C    23.8718  -25.7121
            25  C1y C    25.1082  -25.0429
            26  O1a O    26.3794  -22.9883
            27  O1a O    26.3083  -25.7805
            28  C1z C    26.4482  -15.7808
            29  C1z C    25.2394  -16.4887
            30  C2y C    26.4657  -14.3837
            31  C1x C    27.6568  -16.5062
            32  C1a C    26.4365  -17.1778
            33  C1y C    24.0437  -15.7633
            34  C1x C    25.2394  -17.8857
            35  C1a C    25.8577  -15.0800
            36  C1y C    27.6860  -13.7063
            37  C2x C    25.2757  -13.6829
            38  C1y C    28.8771  -15.8230
            39  C1z C    22.8175  -16.4770
            40  C1x C    23.9797  -14.3663
            41  C1x C    24.0320  -18.5748
            42  C1z C    28.8888  -14.4260
            43  C1x C    27.7036  -12.3091
            44  O1a O    28.8654  -17.2260
            45  C1y C    22.8116  -17.8798
            46  C1x C    21.6029  -15.7574
            47  C1a C    22.8058  -15.0683
            48  C1x C    30.1093  -13.7413
            49  C6a C    30.0976  -15.1208
            50  C1z C    28.9297  -11.6319
            51  C1z C    21.6029  -18.5691
            52  C1x C    20.3826  -16.4770
            53  C1x C    30.1268  -12.3442
            54  O6a O    31.2991  -14.4143
            55  O6a O    30.0918  -16.5238
            56  C1a C    29.6261  -10.4241
            57  C1a C    28.2231  -10.4241
            58  C1y C    20.3826  -17.8798
            59  C1a C    20.8775  -19.7894
            60  C1a C    22.4198  -19.8594
            61  O2a O    19.1562  -18.5691
BOND        68
            1     5   8 1
            2     5   9 1 #Up
            3     7  10 1
            4     7  11 1
            5     8  12 1 #Up
            6    10  13 1 #Down
            7    10  14 1
            8    11  15 1
            9    16  13 1 #Up
            10   14  17 1
            11   14  18 1 #Up
            12   16  19 1
            13   16  20 1
            14   17  21 1 #Up
            15   19  22 1
            16   19  23 1 #Down
            17   20  24 1
            18   22  25 1
            19   22  26 1 #Up
            20   25  27 1 #Up
            21    6   8 1
            22   15  17 1
            23   24  25 1
            24    1   2 1
            25    1   3 1
            26    2   4 1 #Down
            27    2   5 1
            28    3   6 1
            29    7   4 1 #Up
            30   28  29 1
            31   28  30 1
            32   28  31 1
            33   28  32 1 #Down
            34   29  33 1
            35   29  34 1
            36   29  35 1 #Up
            37   30  36 1
            38   30  37 2
            39   31  38 1
            40   33  39 1
            41   33  40 1
            42   34  41 1
            43   36  42 1
            44   36  43 1
            45   38  44 1 #Down
            46   39  45 1
            47   39  46 1
            48   39  47 1 #Up
            49   42  48 1
            50   42  49 1 #Up
            51   43  50 1
            52   45  51 1
            53   46  52 1
            54   48  53 1
            55   49  54 1
            56   49  55 2
            57   50  56 1
            58   50  57 1
            59   51  58 1
            60   51  59 1
            61   51  60 1
            62   58  61 1 #Up
            63   37  40 1
            64   38  42 1
            65   41  45 1
            66   50  53 1
            67   52  58 1
            68    1  61 1 #Up

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