KEGG   COMPOUND: C10205
Entry
C10205                      Compound                               
Name
Coumestrol
Formula
C15H8O5
Exact mass
268.0372
Mol weight
268.221
Structure
Reaction
R07726
Pathway
map00943  Isoflavonoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1209 Coumestan flavonoids
    C10205  Coumestrol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Coumestanes
    C10205  Coumestrol
Other DBs
CAS: 479-13-0
PubChem: 12391
ChEBI: 3908
LIPIDMAPS: LMPK12090018
KNApSAcK: C00002514
PDB-CCD: CUE[PDBj]
3DMET: B03635
NIKKAJI: J9.392K
KCF data

ATOM        20
            1   C8y C    30.0953  -15.8544
            2   C8y C    28.8742  -16.5497
            3   C8y C    31.1353  -16.8008
            4   C8y C    30.1013  -14.4522
            5   C8y C    27.6765  -15.8427
            6   O2x O    29.1606  -17.9226
            7   C8y C    30.5511  -18.0746
            8   C8x C    32.5375  -16.6665
            9   O7x O    28.8976  -13.7511
            10  O6a O    31.3164  -13.7627
            11  C8y C    27.6825  -14.4464
            12  C8x C    26.4730  -16.5380
            13  C8x C    31.3632  -19.2255
            14  C8x C    33.3496  -17.8174
            15  C8x C    26.4730  -13.7453
            16  C8x C    25.2636  -15.8427
            17  C8y C    32.7654  -19.0912
            18  C8y C    25.2636  -14.4464
            19  O1a O    33.5717  -20.2304
            20  O1a O    24.0542  -13.7453
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 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    6   7 1
            21    9  11 1
            22   14  17 1
            23   16  18 1

» Japanese version

  All links  
Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (8)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
All databases (12)   

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