KEGG   DRUG: Rutin hydrateHelp
Entry
D00190                      Drug                                   

Name
Rutin hydrate (JAN);
Rutin trihydrate
Formula
C27H30O16. 3H2O
Exact mass
664.1851
Mol weight
664.5633
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: C05CA01
Chemical structure group: DG00302
Efficacy
Vascular protectant
Comment
Bioflavonoid
Rutin: major constituent of Forsythia fruit
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA01 Rutoside
      D00190  Rutin hydrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  22 Blood vessel reinforcing drugs
   D00190  Rutin hydrate (JAN)
 Nourishing tonics and health supplements
  43 Vitamin containing supplements
   D00190  Rutin hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 7847258
ChEBI: 28527
LigandBox: D00190
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8y C    26.8813  -14.0699
            2   C8x C    26.8813  -15.4563
            3   C8y C    28.0850  -16.1496
            4   C8x C    28.0850  -13.3767
            5   C8y C    29.2815  -14.0699
            6   C8y C    29.2756  -15.4563
            7   C8y C    30.4734  -16.1547
            8   C8y C    31.6770  -15.4666
            9   C8y C    31.6830  -14.0801
            10  O2x O    30.4852  -13.3817
            11  C8y C    32.8867  -13.3920
            12  C8x C    34.0807  -14.0936
            13  C8y C    35.2842  -13.4055
            14  C8y C    35.2904  -12.0192
            15  C8x C    34.0926  -11.3206
            16  C8x C    32.8888  -12.0089
            17  O1a O    28.0883  -17.5361
            18  O1a O    25.6811  -13.3760
            19  O5x O    30.4674  -17.5411
            20  O1a O    36.4940  -11.3309
            21  O1a O    36.4820  -14.1039
            22  O2a O    33.0132  -16.1648
            23  C1y C    34.4812  -17.4799
            24  O2x O    34.4775  -18.8573
            25  C1y C    35.6684  -19.5492
            26  C1y C    36.8632  -18.8637
            27  C1y C    36.8669  -17.4863
            28  C1y C    35.6758  -16.7944
            29  O1a O    35.6796  -15.4080
            30  O1a O    38.0695  -16.7963
            31  O1a O    38.0620  -19.5602
            32  C1b C    35.6648  -20.9356
            33  O2a O    34.4624  -21.6257
            34  C1y C    33.2634  -20.9292
            35  O2x O    33.2678  -19.5473
            36  C1y C    32.0691  -18.8509
            37  C1y C    30.8665  -19.5410
            38  C1y C    30.8627  -20.9274
            39  C1y C    32.0616  -21.6238
            40  C1a C    32.0727  -17.4645
            41  O1a O    29.6675  -18.8445
            42  O1a O    29.6601  -21.6175
            43  O1a O    32.0600  -23.0103
            44  O0  O    42.3500  -16.7300
            45  O0  O    42.3500  -16.7300
            46  O0  O    42.3500  -16.7300
BOND        47
            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
BRACKET     1    40.3200  -17.6400   40.3200  -15.8900
            1    43.0500  -15.8900   43.0500  -17.6400
            1  3
 ORIGINAL  1   44
 REPEAT    1   45  46

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