KEGG   COMPOUND: C05625Help
Entry
C05625                      Compound                               

Name
Rutin;
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;
Quercetin 3-rutinoside;
Rutoside;
Phytomelin
Formula
C27H30O16
Exact mass
610.1534
Mol weight
610.5175
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Rutin: major constituent of Forsythia fruit
Reaction
Pathway
Flavone and flavonol biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.4.1.159       2.4.2.35
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C05625  Rutin
BRITE hierarchy
Other DBs
CAS: 
153-18-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    27.0900  -14.0700
            2   C8x C    27.0900  -15.4700
            3   C8y C    28.2800  -16.1700
            4   C8x C    28.2800  -13.3700
            5   C8y C    29.4700  -14.0700
            6   C8y C    29.4700  -15.4700
            7   C8y C    30.6600  -16.1700
            8   C8y C    31.9200  -15.4700
            9   C8y C    31.9200  -14.0700
            10  O2x O    30.7300  -13.3700
            11  C8y C    33.1100  -13.3700
            12  C8x C    34.3000  -14.0700
            13  C8y C    35.4900  -13.4400
            14  C8y C    35.4900  -12.0400
            15  C8x C    34.3000  -11.3400
            16  C8x C    33.1100  -12.0400
            17  O1a O    28.2800  -17.5700
            18  O1a O    25.9000  -13.3700
            19  O5x O    30.6600  -17.5700
            20  O1a O    36.6800  -11.3400
            21  O1a O    36.6800  -14.0700
            22  O2a O    33.2500  -16.1700
            23  C1y C    34.7200  -17.5000
            24  O2x O    34.7200  -18.8300
            25  C1y C    35.9100  -19.5300
            26  C1y C    37.1000  -18.8300
            27  C1y C    37.1000  -17.5000
            28  C1y C    35.9100  -16.8000
            29  O1a O    35.9100  -15.4000
            30  O1a O    38.2900  -16.8000
            31  O1a O    38.2900  -19.5300
            32  C1b C    35.9100  -20.9300
            33  O2a O    34.6500  -21.6300
            34  C1y C    33.4600  -20.9300
            35  O2x O    33.4600  -19.5300
            36  C1y C    32.2700  -18.8300
            37  C1y C    31.0800  -19.5300
            38  C1y C    31.0800  -20.9300
            39  C1y C    32.2700  -21.6300
            40  C1a C    32.2700  -17.4300
            41  O1a O    29.8900  -18.8300
            42  O1a O    29.8900  -21.6300
            43  O1a O    32.2700  -23.0300
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

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