KEGG   COMPOUND: C16911
Entry
C16911                      Compound                               

Name
Afzelin;
Kaempferin;
Kaempferol 3-O-alpha-L-rhamnoside
Formula
C21H20O10
Exact mass
432.1056
Mol weight
432.3775
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C16911  Afzelin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C16911  Afzelin
Other DBs
CAS: 482-39-3
PubChem: 96023404
ChEBI: 80790
ChEMBL: CHEMBL240528
KNApSAcK: C00005140
PDB-CCD: AFE[PDBj]
NIKKAJI: J12.243B
LinkDB
KCF data

ATOM        31
            1   C1y C    36.7761  -28.2967
            2   C8y C    29.9413  -24.3615
            3   C8x C    29.9413  -25.7423
            4   C8y C    31.1371  -26.4327
            5   C8y C    32.3329  -25.7423
            6   C8y C    32.3329  -24.3615
            7   C8x C    31.1371  -23.6711
            8   C8y C    33.5287  -26.4327
            9   C8y C    34.7244  -25.7423
            10  C8y C    34.7244  -24.3615
            11  O2x O    33.5287  -23.6711
            12  O1a O    28.7456  -23.6711
            13  O1a O    31.1371  -27.8134
            14  O5x O    33.5287  -27.8134
            15  C8y C    35.9055  -23.6795
            16  C8x C    37.0775  -24.3561
            17  C8x C    38.2733  -23.6657
            18  C8y C    38.2733  -22.2849
            19  C8x C    37.1013  -21.6084
            20  C8x C    35.9055  -22.2988
            21  O1a O    39.4828  -21.5865
            22  O2a O    35.9055  -26.4243
            23  C1y C    36.7761  -29.6775
            24  C1y C    37.9719  -30.3679
            25  C1y C    39.1677  -29.6775
            26  C1y C    39.1677  -28.2967
            27  O2x O    37.9719  -27.6063
            28  O1a O    35.5804  -30.3679
            29  O1a O    37.9719  -31.7486
            30  O1a O    40.3819  -30.3787
            31  C1a C    40.3819  -27.5955
BOND        34
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    6  11 1
            12    2  12 1
            13    4  13 1
            14    8  14 2
            15   10  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   18  21 1
            23    9  22 1
            24    1  22 1 #Down
            25    1  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30    1  27 1
            31   23  28 1 #Up
            32   24  29 1 #Up
            33   25  30 1 #Down
            34   26  31 1 #Up

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