KEGG   COMPOUND: C08923
Entry
C08923                      Compound                               
Name
Arvensoside A
Formula
C48H78O18
Exact mass
942.5188
Mol weight
943.1221
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08923  Arvensoside A
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Triterpenoid
    C08923  Arvensoside A
Other DBs
CAS: 110219-89-1
PubChem: 11115
ChEBI: 2856
KNApSAcK: C00003499
3DMET: B02528
NIKKAJI: J451.222G
LinkDB
KCF data

ATOM        66
            1   C1y C    17.5781  -34.2002
            2   O2x O    16.3575  -34.9190
            3   C1y C    18.8611  -34.8927
            4   C1y C    16.3662  -36.3207
            5   C1y C    18.8077  -36.2963
            6   O1a O    20.0005  -34.1802
            7   C1y C    17.6032  -37.0058
            8   C1b C    15.1617  -37.0300
            9   O1a O    20.0141  -36.9773
            10  O1a O    17.5942  -38.3889
            11  O1a O    13.9436  -36.3406
            12  C1y C    18.7503  -29.2852
            13  C1y C    18.7740  -30.6846
            14  O2x O    17.5283  -28.6071
            15  C1y C    17.5754  -31.4058
            16  O1a O    20.0048  -31.3597
            17  C1y C    16.3274  -29.3203
            18  O2a O    17.5910  -32.8076
            19  C1y C    16.3418  -30.7360
            20  C1b C    15.0937  -28.6505
            21  O1a O    15.1461  -31.4521
            22  O1a O    15.1432  -27.2311
            23  C1z C    29.6676  -24.4476
            24  C1y C    28.4886  -23.7427
            25  C1x C    29.6616  -25.8453
            26  C7a C    30.8768  -25.1465
            27  C1x C    30.8885  -23.7732
            28  C2y C    27.2606  -24.4171
            29  C1x C    28.4946  -22.3452
            30  C1x C    28.4337  -26.5325
            31  O7a O    32.0859  -24.4416
            32  O6a O    30.8709  -26.5629
            33  C1x C    30.8373  -22.3757
            34  C1z C    27.2489  -25.8149
            35  C2x C    26.0573  -23.7124
            36  C1z C    29.7153  -21.6579
            37  C1y C    33.3012  -25.1348
            38  C1z C    26.0398  -26.5078
            39  C1a C    27.2243  -27.2067
            40  C1x C    24.8362  -24.3994
            41  C1a C    30.4026  -20.4427
            42  C1a C    28.9991  -20.4427
            43  O2x O    33.3373  -26.5325
            44  C1y C    34.4986  -24.4054
            45  C1y C    24.8362  -25.8033
            46  C1x C    26.0398  -27.9057
            47  C1a C    26.5810  -25.1043
            48  C1y C    34.5654  -27.2008
            49  C1y C    35.8026  -25.0738
            50  O1a O    34.4623  -23.0077
            51  C1z C    23.6023  -26.5020
            52  C1x C    24.8118  -28.6044
            53  C1y C    35.7629  -26.4774
            54  C1b C    34.6017  -28.5985
            55  O1a O    36.9230  -24.3388
            56  C1y C    23.6023  -27.8997
            57  C1x C    22.3990  -25.7973
            58  C1a C    23.6023  -25.0984
            59  O1a O    37.0027  -27.1459
            60  O1a O    33.4111  -29.3339
            61  C1z C    22.3990  -28.5985
            62  C1x C    21.1840  -26.5020
            63  C1y C    21.1840  -27.8997
            64  C1a C    23.0920  -30.0938
            65  C1a C    21.6826  -30.0938
            66  O2a O    19.9688  -28.5985
BOND        73
            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   12  13 1
            12   12  14 1
            13   13  15 1
            14   13  16 1 #Down
            15   14  17 1
            16   15  18 1 #Up
            17   15  19 1
            18   17  20 1 #Up
            19   19  21 1 #Down
            20   20  22 1
            21   17  19 1
            22    5   7 1
            23   23  24 1
            24   23  25 1
            25   23  26 1 #Up
            26   23  27 1
            27   24  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   28  34 1
            34   28  35 2
            35   29  36 1
            36   37  31 1 #Up
            37   34  38 1
            38   34  39 1 #Down
            39   35  40 1
            40   36  41 1
            41   36  42 1
            42   37  43 1
            43   37  44 1
            44   38  45 1
            45   38  46 1
            46   38  47 1 #Up
            47   43  48 1
            48   44  49 1
            49   44  50 1 #Down
            50   45  51 1
            51   46  52 1
            52   48  53 1
            53   48  54 1 #Up
            54   49  55 1 #Up
            55   51  56 1
            56   51  57 1
            57   51  58 1 #Up
            58   53  59 1 #Down
            59   54  60 1
            60   56  61 1
            61   57  62 1
            62   61  63 1
            63   61  64 1
            64   61  65 1
            65   63  66 1 #Up
            66   30  34 1
            67   33  36 1
            68   40  45 1
            69   49  53 1
            70   52  56 1
            71   62  63 1
            72   12  66 1 #Up
            73    1  18 1 #Up

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