KEGG   COMPOUND: C22130
Entry
C22130                      Compound                               
Name
Oleanolate 3-O-beta-D-glucoside
Formula
C36H58O8
Exact mass
618.4132
Mol weight
618.8409
Structure
Reaction
Enzyme
Other DBs
PubChem: 405226322
ChEBI: 182952
KCF data

ATOM        44
            1   C1y C    11.8981  -18.9656
            2   C1y C    11.8981  -20.3654
            3   C1y C    13.1103  -21.0652
            4   C1y C    14.3224  -20.3654
            5   C1y C    14.3224  -18.9656
            6   O2x O    13.1103  -18.2658
            7   O1a O    13.1103  -22.4647
            8   C1b C    10.6860  -18.2658
            9   O1a O    15.5533  -21.0762
            10  O1a O    10.6860  -21.0652
            11  O1a O     9.4907  -18.9561
            12  C1x C    16.7305  -16.0847
            13  C1y C    16.7305  -17.4947
            14  C1z C    17.9517  -18.1997
            15  C1y C    19.1730  -17.4947
            16  C1z C    19.1730  -16.0847
            17  C1x C    17.9517  -15.3796
            18  C1x C    20.3942  -18.1997
            19  C1x C    21.6152  -17.4947
            20  C1z C    21.6152  -16.0847
            21  C1y C    20.3942  -15.3796
            22  C1z C    22.8364  -15.3796
            23  C2y C    22.8364  -13.9695
            24  C2x C    21.6152  -13.2645
            25  C1x C    20.3942  -13.9695
            26  C1x C    24.0575  -16.0847
            27  C1x C    25.2787  -15.3796
            28  C1z C    25.2787  -13.9695
            29  C1y C    24.0575  -13.2645
            30  C1x C    26.4999  -13.2645
            31  C1x C    26.4999  -11.8545
            32  C1z C    25.2787  -11.1495
            33  C1x C    24.0575  -11.8545
            34  C1a C    24.4333   -9.9283
            35  C1a C    25.9837   -9.9283
            36  C6a C    26.4999  -14.6745
            37  O6a O    26.8647  -16.0366
            38  O6a O    27.7210  -13.9695
            39  C1a C    22.8364  -16.7897
            40  C1a C    21.6152  -15.1655
            41  C1a C    19.1730  -14.6745
            42  O2a O    15.5094  -18.1997
            43  C1a C    17.2466  -19.5611
            44  C1a C    18.8672  -19.5611
BOND        49
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     1   8 1 #Up
            9     4   9 1 #Down
            10    2  10 1 #Down
            11    8  11 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   12  17 1
            18   15  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   16  21 1
            23   20  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   21  25 1
            28   22  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   23  29 1
            33   28  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   29  33 1
            38   32  34 1
            39   32  35 1
            40   28  36 1 #Up
            41   36  37 1
            42   36  38 2
            43   22  39 1 #Down
            44   20  40 1 #Up
            45   16  41 1 #Up
            46   13  42 1 #Up
            47   14  43 1
            48   14  44 1
            49    5  42 1 #Up

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