KEGG   COMPOUND: C05623Help
Entry
C05623                      Compound                               

Name
Quercetin 3-O-glucoside;
Isoquercitrin;
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;
Isotrifoliin
Formula
C21H20O12
Exact mass
464.0955
Mol weight
464.3763
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavone and flavonol biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.3.1.116       2.4.1.91        2.4.1.159       2.4.1.239       
2.4.2.35
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C05623  Quercetin 3-O-glucoside
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C05623  Quercetin 3-O-glucoside
BRITE hierarchy
Other DBs
CAS: 
21637-25-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1y C    31.2948  -17.6723
            2   O2x O    31.2948  -19.0726
            3   C1y C    32.5104  -19.7727
            4   C1y C    33.7189  -19.0726
            5   C1y C    33.7189  -17.6723
            6   C1y C    32.5104  -16.9721
            7   C1b C    32.5123  -21.1731
            8   O1a O    34.9322  -16.9730
            9   O1a O    32.5123  -15.7818
            10  O1a O    34.9322  -19.7719
            11  O1a O    31.3004  -21.8747
            12  O2a O    30.0824  -16.9714
            13  C8y C    28.8825  -14.8703
            14  C8y C    28.8767  -16.2691
            15  C8y C    30.0941  -14.1739
            16  O2x O    27.6709  -14.1622
            17  C8y C    27.6592  -16.9657
            18  C8x C    30.1000  -12.7749
            19  C8x C    31.2999  -14.8820
            20  C8y C    26.4536  -14.8586
            21  C8y C    26.4478  -16.2574
            22  O5x O    27.6535  -18.3645
            23  C8x C    31.3116  -12.0785
            24  C8y C    32.5172  -14.1856
            25  C8x C    25.2480  -14.1562
            26  C8y C    25.2480  -16.9597
            27  C8y C    32.5231  -12.7866
            28  C8y C    24.0305  -14.8586
            29  C8x C    24.0305  -16.2574
            30  O1a O    25.2480  -18.3587
            31  O1a O    33.7405  -12.0902
            32  O1a O    22.8189  -14.1562
            33  O1a O    33.7271  -14.8908
BOND        36
            1     3   7 1 #Up
            2     2   3 1
            3     5   8 1 #Up
            4     1  12 1 #Up
            5     3   4 1
            6     6   9 1 #Down
            7     4   5 1
            8     4  10 1 #Down
            9     5   6 1
            10    7  11 1
            11    6   1 1
            12   13  14 2
            13   13  15 1
            14   13  16 1
            15   14  17 1
            16   14  12 1
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   17  22 2
            22   18  23 2
            23   19  24 1
            24   20  25 2
            25   21  26 2
            26   23  27 1
            27   25  28 1
            28   26  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   20  21 1
            33   24  27 2
            34   28  29 2
            35    1   2 1
            36   24  33 1

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