KEGG   COMPOUND: C00814Help
Entry
C00814                      Compound                               

Name
Biochanin A
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoflavonoid biosynthesis
Biosynthesis of phenylpropanoids
Biosynthesis of secondary metabolites
Enzyme
1.3.1.46        1.14.13.52      1.14.13.89      2.1.1.212       
2.4.1.170
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C00814  Biochanin A
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C00814  Biochanin A
BRITE hierarchy
Other DBs
CAS: 
491-80-5
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    25.1213  -16.7846
            2   C8y C    25.1213  -18.1945
            3   O2x O    26.3496  -16.0886
            4   C8x C    23.8987  -16.0769
            5   C8y C    26.3438  -18.9139
            6   C8y C    23.8987  -18.8964
            7   C8x C    27.5781  -16.7789
            8   C8y C    22.6995  -16.7846
            9   C8y C    27.5722  -18.2062
            10  O5x O    26.3379  -20.3004
            11  C8x C    22.6995  -18.1945
            12  O1a O    23.8987  -20.2827
            13  O1a O    21.4829  -16.1003
            14  C8y C    28.7713  -18.9081
            15  C8x C    29.9822  -18.2120
            16  C8x C    28.7656  -20.2886
            17  C8x C    31.1171  -18.9081
            18  C8x C    29.9645  -20.9964
            19  C8y C    31.1754  -20.3061
            20  O2a O    32.3746  -21.0081
            21  C1a C    33.5854  -20.3236
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   14  15 2
            15   14  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20   20  21 1
            21    7   9 2
            22    8  11 1
            23   18  19 1

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