KEGG   COMPOUND: C10205Help
Entry
C10205                      Compound                               

Name
Coumestrol
Formula
C15H8O5
Exact mass
268.0372
Mol weight
268.221
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Trifolium subterraneum [TAX:3900]
Phytoestrogen
Reaction
Pathway
Isoflavonoid biosynthesis
Biosynthesis of phenylpropanoids
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
BRITE hierarchy
Other DBs
CAS: 
479-13-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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

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