KEGG   COMPOUND: C12249Help
Entry
C12249                      Compound                               

Name
Kaempferol 3-O-glucoside;
Kaempferol 3-O-beta-D-glucoside;
Astragalin
Formula
C21H20O11
Exact mass
448.1006
Mol weight
448.3769
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavone and flavonol biosynthesis
Biosynthesis of secondary metabolites
Enzyme
2.4.1.91        2.4.1.239
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12249  Astragalin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C12249  Kaempferol 3-O-glucoside
BRITE hierarchy
Other DBs
CAS: 
480-10-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C1y C    27.2830  -18.1931
            2   O2x O    27.2830  -19.5932
            3   C1y C    28.4985  -20.2933
            4   C1y C    29.7069  -19.5932
            5   C1y C    29.7069  -18.1931
            6   C1y C    28.4985  -17.4930
            7   O2a O    26.0709  -17.4923
            8   C1b C    28.5004  -21.6935
            9   O1a O    30.9201  -17.4938
            10  O1a O    28.5004  -16.0928
            11  O1a O    30.9201  -20.2925
            12  O1a O    27.2886  -22.3951
            13  C8y C    24.8655  -15.3905
            14  C8y C    24.8598  -16.7892
            15  C8y C    26.0770  -14.6942
            16  O2x O    23.6541  -14.6824
            17  C8y C    23.6424  -17.4857
            18  C8x C    26.0829  -13.2953
            19  C8x C    27.2827  -15.4022
            20  C8y C    22.3669  -15.3788
            21  C8y C    22.4311  -16.7774
            22  O5x O    23.6366  -18.8843
            23  C8x C    27.2944  -12.5990
            24  C8x C    28.4999  -14.7059
            25  C8x C    21.2314  -14.6765
            26  C8y C    21.2314  -17.4797
            27  C8y C    28.5058  -13.3070
            28  C8y C    20.0140  -15.3788
            29  C8x C    20.0140  -16.7774
            30  O1a O    21.2314  -18.8786
            31  O1a O    29.7230  -12.6107
            32  O1a O    18.8025  -14.6765
BOND        35
            1     3   4 1
            2     6  10 1 #Down
            3     4   5 1
            4     4  11 1 #Down
            5     5   6 1
            6     8  12 1
            7     6   1 1
            8     1   7 1 #Up
            9     1   2 1
            10    3   8 1 #Up
            11    2   3 1
            12    5   9 1 #Up
            13   13  14 2
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14   7 1
            18   15  18 1
            19   15  19 2
            20   16  20 1
            21   17  21 1
            22   17  22 2
            23   18  23 2
            24   19  24 1
            25   20  25 2
            26   21  26 2
            27   23  27 1
            28   25  28 1
            29   26  29 1
            30   26  30 1
            31   27  31 1
            32   28  32 1
            33   20  21 1
            34   24  27 2
            35   28  29 2

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