KEGG   COMPOUND: C15581
Entry
C15581                      Compound                               
Name
Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Formula
C27H30O13
Exact mass
562.1686
Mol weight
562.5193
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
2.4.1.239       2.4.1.240
Brite
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C15581  Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Other DBs
PubChem: 17396573
ChEBI: 52142
NIKKAJI: J2.795.024H
LinkDB
KCF data

ATOM        40
            1   C8y C    24.8500  -18.2700
            2   C8y C    24.8500  -19.7400
            3   C8y C    26.0400  -17.5700
            4   O2x O    23.5900  -17.5700
            5   C8y C    23.5900  -20.4400
            6   O2a O    26.0400  -20.3700
            7   C8x C    26.0400  -16.1700
            8   C8x C    27.3000  -18.2700
            9   C8y C    22.4000  -18.2700
            10  C8y C    22.4000  -19.6700
            11  O5x O    23.5900  -21.7700
            12  C1y C    27.2300  -21.0700
            13  C8x C    27.2300  -15.4700
            14  C8x C    28.4900  -17.5700
            15  C8x C    21.1400  -17.5700
            16  C8x C    21.1400  -20.4400
            17  O2x O    28.4900  -20.3700
            18  C1y C    27.2300  -22.4700
            19  C8x C    28.4900  -16.1700
            20  C8x C    19.9500  -18.2700
            21  C8x C    19.9500  -19.6700
            22  C1y C    29.6800  -21.0700
            23  C1y C    28.4900  -23.1700
            24  C1y C    29.6800  -22.4700
            25  C1b C    30.8700  -20.3700
            26  O1a O    28.4900  -24.5700
            27  O1a O    30.8700  -23.1700
            28  O1a O    31.9200  -21.2800
            29  C1y C    24.8500  -23.8700
            30  O2x O    23.5900  -23.1700
            31  C1y C    24.8500  -25.2700
            32  C1y C    22.4000  -23.8700
            33  C1y C    23.5900  -25.9700
            34  O1a O    26.0400  -25.9700
            35  C1y C    22.4000  -25.2700
            36  C1b C    21.2100  -23.1700
            37  O1a O    23.5900  -27.3700
            38  O1a O    21.2100  -25.9700
            39  O1a O    20.1600  -24.0800
            40  O2a O    26.0566  -23.1600
BOND        44
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11   12   6 1 #Down
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 1
            18   13  19 2
            19   15  20 2
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   22  24 1
            24   22  25 1 #Down
            25   23  26 1 #Down
            26   24  27 1 #Up
            27   25  28 1
            28    9  10 2
            29   14  19 1
            30   20  21 1
            31   23  24 1
            32   29  30 1
            33   29  31 1
            34   30  32 1
            35   31  33 1
            36   31  34 1 #Down
            37   32  35 1
            38   32  36 1 #Up
            39   33  37 1 #Up
            40   35  38 1 #Down
            41   36  39 1
            42   33  35 1
            43   29  40 1 #Up
            44   18  40 1 #Up

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