KEGG   COMPOUND: C00814
Entry
C00814                      Compound                               
Name
Biochanin A
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.46        1.14.14.88      1.14.14.90      2.1.1.46        
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
Dietary phytochemicals [br08012.html]
 Flavonoids
  C00814
Other DBs
CAS: 491-80-5
PubChem: 4072
ChEBI: 17574
LIPIDMAPS: LMPK12050229
KNApSAcK: C00002510
PDB-CCD: QSO[PDBj]
3DMET: B00181
NIKKAJI: J11.761G
KCF data

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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