KEGG   COMPOUND: C12637
Entry
C12637                      Compound                               

Name
Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
Formula
C26H28O16
Exact mass
596.1377
Mol weight
596.4909
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Other DBs
PubChem: 583027
ChEBI: 32081
ChEMBL: CHEMBL455758
NIKKAJI: J460.249H
LinkDB
KCF data

ATOM        42
            1   O2x O    20.9419  -17.9245
            2   C1y C    20.9419  -19.3249
            3   C1y C    22.1577  -20.0251
            4   C1y C    23.3663  -19.3249
            5   C1y C    23.3663  -17.9245
            6   C1y C    22.1577  -17.2242
            7   O2a O    24.5797  -17.2252
            8   C1y C    25.7920  -17.9263
            9   O2x O    25.7854  -19.3247
            10  C1x C    26.9978  -20.0260
            11  C1y C    28.2110  -19.3266
            12  C1y C    28.2120  -17.9262
            13  C1y C    26.9998  -17.2251
            14  C1b C    19.7295  -20.0258
            15  O1a O    19.7302  -21.4263
            16  O1a O    22.1595  -21.4256
            17  O1a O    24.5097  -20.3043
            18  O2a O    22.1595  -15.8239
            19  O1a O    26.9986  -15.8247
            20  O1a O    29.4254  -17.2268
            21  O1a O    29.4234  -20.0277
            22  C8y C    16.1058  -13.7078
            23  C8x C    16.1058  -15.1082
            24  C8y C    17.3214  -15.8084
            25  C8x C    17.3214  -13.0075
            26  C8y C    18.5301  -13.7078
            27  C8y C    18.5240  -15.1082
            28  C8y C    19.7338  -15.8135
            29  C8y C    20.9497  -15.1186
            30  C8y C    20.9556  -13.7181
            31  O2x O    19.7458  -13.0128
            32  C8y C    22.1714  -13.0232
            33  C8x C    23.3775  -13.7317
            34  C8y C    24.5934  -13.0367
            35  C8y C    24.5994  -11.6363
            36  C8x C    23.3895  -10.9310
            37  C8x C    22.1738  -11.6259
            38  O1a O    25.8151  -10.9413
            39  O5x O    19.7278  -17.2139
            40  O1a O    17.3247  -17.2088
            41  O1a O    14.8933  -13.0069
            42  O1a O    25.8032  -13.7421
BOND        46
            1     5   6 1
            2    11  21 1 #Down
            3     6   1 1
            4     8   9 1
            5     9  10 1
            6    10  11 1
            7    22  23 2
            8    23  24 1
            9    24  27 2
            10   26  25 2
            11   25  22 1
            12   11  12 1
            13   12  13 1
            14   13   8 1
            15    2  14 1 #Up
            16    5   7 1 #Down
            17   26  27 1
            18   27  28 1
            19   28  29 1
            20   29  30 2
            21   30  31 1
            22   31  26 1
            23   14  15 1
            24   30  32 1
            25    1   2 1
            26    3  16 1 #Down
            27    8   7 1 #Up
            28    4  17 1 #Up
            29    2   3 1
            30   32  33 2
            31   33  34 1
            32   34  35 2
            33   35  36 1
            34   36  37 2
            35   37  32 1
            36    6  18 1 #Up
            37   35  38 1
            38   29  18 1
            39    3   4 1
            40   28  39 2
            41   13  19 1 #Down
            42   24  40 1
            43    4   5 1
            44   22  41 1
            45   12  20 1 #Up
            46   34  42 1

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