KEGG   COMPOUND: C00858Help
Entry
C00858                      Compound                               

Name
Formononetin
Formula
C16H12O4
Exact mass
268.0736
Mol weight
268.2641
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.88      1.14.14.89      1.14.14.90      2.1.1.212       
2.4.1.170       4.2.1.105
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C00858  Formononetin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C00858  Formononetin
Major components of natural products [BR:br08323]
 Crude drugs
  Astragalus root
   C00858  Formononetin
BRITE hierarchy
Other DBs
CAS: 485-72-3
PubChem: 4115
ChEBI: 18088
ChEMBL: CHEMBL242341
KNApSAcK: C00002525
3DMET: B00192
NIKKAJI: J12.525C
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    22.1662  -15.8631
            2   C8y C    23.3746  -16.5600
            3   C8y C    20.9384  -16.5665
            4   C8x C    22.1597  -14.4436
            5   C8x C    23.3746  -17.9541
            6   C8x C    24.5703  -15.8694
            7   C8y C    19.7107  -15.8566
            8   O5x O    20.9384  -18.0241
            9   O2x O    20.9256  -13.7403
            10  C8x C    24.5768  -18.6574
            11  C8x C    25.7788  -16.5537
            12  C8y C    19.7107  -14.4564
            13  C8x C    18.4894  -16.5728
            14  C8y C    25.7788  -17.9476
            15  C8x C    18.4894  -13.7594
            16  C8x C    17.2872  -15.8566
            17  O2a O    26.9875  -18.6381
            18  C8y C    17.2872  -14.4564
            19  C1a C    28.1894  -17.9413
            20  O1a O    16.0788  -13.7594
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13   10  14 1
            14   12  15 2
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20    9  12 1
            21   11  14 2
            22   16  18 2

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