KEGG   COMPOUND: C04385Help
Entry
C04385                      Compound                               

Name
Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)
Formula
C24H22O11
Exact mass
486.1162
Mol weight
486.4249
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C04385  Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)
BRITE hierarchy
Other DBs
PubChem: 7026
ChEBI: 17155
NIKKAJI: J2.750.374H
KCF data Show

ATOM        35
            1   C8y C    30.8015  -19.0715
            2   C8y C    30.8015  -20.4665
            3   C8y C    32.0877  -18.3742
            4   O2x O    29.5986  -18.3742
            5   C8y C    29.5986  -21.1576
            6   O2a O    31.9981  -21.1576
            7   C8x C    32.0877  -16.9857
            8   C8x C    33.2907  -19.0715
            9   C8y C    28.3893  -19.0715
            10  C8y C    28.3893  -20.4665
            11  O5x O    29.5923  -22.5525
            12  C1y C    33.4825  -22.1685
            13  C8x C    33.2907  -16.2881
            14  C8x C    34.5000  -18.3742
            15  C8x C    27.1863  -18.3742
            16  C8x C    27.1863  -21.1576
            17  O2x O    34.6855  -21.4710
            18  C1y C    33.4825  -23.5571
            19  C8x C    34.5000  -16.9857
            20  C8x C    26.0345  -19.0525
            21  C8x C    26.0470  -20.4665
            22  C1y C    35.8886  -22.1685
            23  C1y C    34.6855  -24.2544
            24  O1a O    32.2733  -24.2544
            25  C1y C    35.8886  -23.5571
            26  C1b C    37.0978  -21.4710
            27  O1a O    34.6855  -25.6430
            28  O1a O    37.0978  -24.2544
            29  O7a O    38.3198  -22.1771
            30  C7a C    39.5045  -21.4936
            31  C1b C    40.6967  -22.1825
            32  O6a O    39.5050  -20.0902
            33  C6a C    41.8861  -21.4963
            34  O6a O    43.0759  -22.1839
            35  O6a O    41.8867  -20.0903
BOND        38
            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   18  24 1 #Up
            24   22  25 1
            25   22  26 1 #Down
            26   23  27 1 #Down
            27   25  28 1 #Up
            28    9  10 2
            29   14  19 1
            30   20  21 1
            31   23  25 1
            32   26  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2
            36   31  33 1
            37   33  34 1
            38   33  35 2

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