KEGG   DRUG: D07179Help
Entry
D07179                      Drug                                   

Name
Monoxerutin (INN)
Formula
C29H34O17
Exact mass
654.1796
Mol weight
654.5701
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA02 Monoxerutin
      D07179  Monoxerutin (INN)
BRITE hierarchy
Other DBs
CAS: 
23869-24-1
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8y C    21.4900  -11.2000
            2   C8x C    21.4900  -12.6000
            3   C8y C    22.6800  -13.3000
            4   C8x C    22.6800  -10.5000
            5   C8y C    23.8700  -11.2000
            6   C8y C    23.8700  -12.6000
            7   C8y C    25.0600  -13.3000
            8   C8y C    26.3200  -12.6000
            9   C8y C    26.3200  -11.2000
            10  O2x O    25.1300  -10.5000
            11  C8y C    27.5100  -10.5000
            12  C8x C    28.7000  -11.2000
            13  C8y C    29.8900  -10.5700
            14  C8y C    29.8900   -9.1700
            15  C8x C    28.7000   -8.4700
            16  C8x C    27.5100   -9.1700
            17  O1a O    22.6800  -14.7000
            18  O2a O    20.3000  -10.5000
            19  O5x O    25.0600  -14.7000
            20  O1a O    31.0800   -8.4700
            21  O1a O    31.0800  -11.2000
            22  O2a O    27.6500  -13.3000
            23  C1y C    29.1200  -14.6300
            24  O2x O    29.1200  -15.9600
            25  C1y C    30.3100  -16.6600
            26  C1y C    31.5000  -15.9600
            27  C1y C    31.5000  -14.6300
            28  C1y C    30.3100  -13.9300
            29  O1a O    30.3100  -12.5300
            30  O1a O    32.6900  -13.9300
            31  O1a O    32.6900  -16.6600
            32  C1b C    30.3100  -18.0600
            33  O2a O    29.0500  -18.7600
            34  C1y C    27.8600  -18.0600
            35  O2x O    27.8600  -16.6600
            36  C1y C    26.6700  -15.9600
            37  C1y C    25.4800  -16.6600
            38  C1y C    25.4800  -18.0600
            39  C1y C    26.6700  -18.7600
            40  C1a C    26.6700  -14.5600
            41  O1a O    24.2900  -15.9600
            42  O1a O    24.2900  -18.7600
            43  O1a O    26.6700  -20.1600
            44  C1b C    19.0819  -11.1901
            45  C1b C    17.9005  -10.4950
            46  O1a O    16.6951  -11.1780
BOND        50
            1     9  10 1
            2    13  21 1
            3    10   5 1
            4     8  22 1
            5    23  22 1 #Up
            6     9  11 1
            7     1   2 2
            8     2   3 1
            9     3   6 2
            10    5   4 2
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  28 1
            16   28  23 1
            17    4   1 1
            18   28  29 1 #Down
            19   11  12 2
            20   27  30 1 #Up
            21   12  13 1
            22   26  31 1 #Down
            23   13  14 2
            24   25  32 1 #Up
            25   14  15 1
            26   32  33 1
            27   15  16 2
            28   34  33 1 #Up
            29   16  11 1
            30    5   6 1
            31    3  17 1
            32    6   7 1
            33    1  18 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  34 1
            40    7   8 1
            41   36  40 1 #Down
            42    7  19 2
            43   37  41 1 #Up
            44    8   9 2
            45   38  42 1 #Down
            46   14  20 1
            47   39  43 1 #Down
            48   18  44 1
            49   44  45 1
            50   45  46 1

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