KEGG   COMPOUND: C15582
Entry
C15582                      Compound                               

Name
Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Formula
C33H40O18
Exact mass
724.2215
Mol weight
724.6599
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C15582  Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Other DBs
PubChem: 17396574
ChEBI: 52143
NIKKAJI: J2.795.025F
LinkDB
KCF data

ATOM        51
            1   C1y C    29.6800  -25.4100
            2   O2x O    28.4900  -24.6400
            3   C1y C    29.6800  -26.7400
            4   C1b C    30.9400  -24.6400
            5   C1y C    27.3000  -25.4100
            6   C1y C    28.4900  -27.4400
            7   O1a O    30.9400  -27.4400
            8   O1a O    32.1300  -25.3400
            9   C1y C    27.3000  -26.7400
            10  O1a O    28.4900  -28.8400
            11  O1a O    26.0400  -27.4400
            12  C8y C    24.8500  -16.9400
            13  C8y C    24.8500  -18.4100
            14  C8y C    26.0400  -16.2400
            15  O2x O    23.5900  -16.2400
            16  C8y C    23.5900  -19.1100
            17  O2a O    26.0400  -19.0400
            18  C8x C    26.0400  -14.8400
            19  C8x C    27.2300  -16.9400
            20  C8y C    22.4000  -16.9400
            21  C8y C    22.4000  -18.3400
            22  O5x O    23.5900  -20.4400
            23  C1y C    27.1600  -19.7400
            24  C8x C    27.1600  -14.1400
            25  C8x C    28.4200  -16.2400
            26  C8x C    21.1400  -16.2400
            27  C8x C    21.1400  -19.1100
            28  O2x O    28.4200  -19.0400
            29  C1y C    27.1600  -21.1400
            30  C8x C    28.4200  -14.8400
            31  C8x C    19.9500  -16.9400
            32  C8x C    19.9500  -18.3400
            33  C1y C    29.6100  -19.7400
            34  C1y C    28.4200  -21.8400
            35  C1y C    29.6100  -21.1400
            36  C1b C    30.8000  -19.0400
            37  O1a O    28.4200  -23.2400
            38  O1a O    30.8000  -21.8400
            39  O1a O    31.8500  -19.9500
            40  C1y C    24.8500  -22.5400
            41  O2x O    23.5900  -21.8400
            42  C1y C    24.8500  -23.9400
            43  C1y C    22.4000  -22.5400
            44  C1y C    23.5900  -24.6400
            45  C1y C    22.4000  -23.9400
            46  C1b C    21.2100  -21.8400
            47  O1a O    23.5900  -25.9700
            48  O1a O    21.2100  -24.6400
            49  O1a O    20.1600  -22.7500
            50  O2a O    26.0400  -21.7700
            51  O2a O    26.0566  -24.6500
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 1
            8     5   9 1
            9     6  10 1 #Down
            10    9  11 1 #Up
            11    6   9 1
            12   12  13 2
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 2
            22   23  17 1 #Down
            23   18  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 1
            27   23  28 1
            28   23  29 1
            29   24  30 2
            30   26  31 2
            31   27  32 2
            32   28  33 1
            33   29  34 1
            34   33  35 1
            35   33  36 1 #Down
            36   34  37 1 #Down
            37   35  38 1 #Up
            38   36  39 1
            39   20  21 2
            40   25  30 1
            41   31  32 1
            42   34  35 1
            43   40  41 1
            44   40  42 1
            45   41  43 1
            46   42  44 1
            47   43  45 1
            48   43  46 1 #Up
            49   44  47 1 #Up
            50   45  48 1 #Down
            51   46  49 1
            52   44  45 1
            53   40  50 1 #Up
            54   29  50 1 #Up
            55   42  51 1 #Down
            56    5  51 1 #Down

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