KEGG   COMPOUND: C10205Help
Entry
C10205                      Compound                               

Name
Coumestrol
Formula
C15H8O5
Exact mass
268.0372
Mol weight
268.221
Structure
Mol fileKCF fileDB searchJmolKegDraw
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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