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 search
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.91        2.4.1.159       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: 14394
ChEBI: 30200
ChEMBL: CHEMBL233930
KNApSAcK: C00005138
3DMET: B04447
NIKKAJI: J12.462A
LinkDB All DBs
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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