KEGG   COMPOUND: C04199
Entry
C04199                      Compound                               

Name
Isovitexin 2''-O-beta-D-glucoside
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Glycosides [BR:br08021]
 C-glycosides
  C04199  Isovitexin 2''-O-beta-D-glucoside
Other DBs
PubChem: 6872
ChEBI: 17379 75432
NIKKAJI: J322.831B
LinkDB
KCF data

ATOM        42
            1   C8y C    24.6516  -13.9720
            2   C1y C    23.4500  -14.6628
            3   C8y C    25.8127  -14.6512
            4   C8y C    24.6051  -12.5266
            5   C1y C    23.4500  -16.0501
            6   O2x O    22.2484  -13.9662
            7   C8y C    27.0490  -13.9487
            8   O1a O    25.8127  -16.0560
            9   C8x C    25.8127  -11.8068
            10  O1a O    23.3862  -11.8591
            11  O2a O    24.6516  -16.7467
            12  C1y C    22.2484  -16.7467
            13  C1y C    21.0468  -14.6628
            14  C8y C    27.0490  -12.5266
            15  C8y C    28.2854  -14.6686
            16  C1y C    24.6748  -18.1283
            17  C1y C    21.0468  -16.0501
            18  O1a O    22.2543  -18.1340
            19  C1b C    19.8394  -13.9662
            20  O2x O    28.2913  -11.8126
            21  C8x C    29.5278  -13.9603
            22  O5x O    28.2797  -16.0791
            23  O2x O    23.5548  -18.8422
            24  C1y C    25.8881  -18.8017
            25  O1a O    19.8394  -16.7467
            26  O1a O    18.6378  -14.6628
            27  C8y C    29.5335  -12.5209
            28  C1y C    23.5081  -20.2354
            29  C1y C    25.9170  -20.1949
            30  O1a O    27.0781  -18.0935
            31  C8y C    30.7467  -11.8184
            32  C1y C    24.7213  -20.9031
            33  C1b C    22.3181  -20.9495
            34  O1a O    27.1303  -20.8623
            35  C8x C    30.7467  -10.4136
            36  C8x C    31.9600  -12.5150
            37  O1a O    24.7445  -22.3020
            38  C8x C    31.9657   -9.7054
            39  C8x C    33.1732  -11.8243
            40  C8y C    33.1732  -10.4195
            41  O1a O    34.3981   -9.7229
            42  O1a O    21.0950  -20.2706
BOND        46
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15   16  11 1 #Up
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1 #Up
            19   14  20 1
            20   15  21 1
            21   15  22 2
            22   16  23 1
            23   16  24 1
            24   17  25 1 #Down
            25   19  26 1
            26   20  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1 #Down
            30   27  31 1
            31   28  32 1
            32   28  33 1 #Up
            33   29  34 1 #Up
            34   31  35 1
            35   31  36 2
            36   32  37 1 #Down
            37   35  38 2
            38   36  39 1
            39   38  40 1
            40   40  41 1
            41    9  14 2
            42   13  17 1
            43   21  27 2
            44   29  32 1
            45   39  40 2
            46   33  42 1

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