KEGG   COMPOUND: C08831Help
Entry
C08831                      Compound                               

Name
Miroestrol
Formula
C20H22O6
Exact mass
358.1416
Mol weight
358.3851
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Others
    C08831  Miroestrol
BRITE hierarchy
Other DBs
CAS: 
2618-41-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    18.4800  -23.9400
            2   C8y C    18.4800  -25.3400
            3   C8x C    19.6700  -26.0400
            4   C8y C    20.9300  -25.3400
            5   C8y C    20.9300  -23.9400
            6   C8x C    19.6700  -23.2400
            7   O2x O    22.1200  -26.0400
            8   C2x C    23.3100  -25.3400
            9   C2y C    23.3100  -23.9400
            10  C1y C    22.1200  -23.2400
            11  C1z C    24.5700  -23.2400
            12  C1y C    24.5700  -21.8400
            13  C1y C    23.3100  -21.1400
            14  C1z C    22.1200  -21.8400
            15  C5x C    25.7600  -23.9400
            16  C1x C    26.9500  -23.2400
            17  C1z C    26.9500  -21.8400
            18  C1y C    25.7600  -21.1400
            19  O1a O    17.2900  -26.0400
            20  C1a C    21.1400  -20.8600
            21  C1a C    20.9300  -22.5400
            22  O5x O    25.7600  -25.3400
            23  O1a O    25.7600  -19.7400
            24  O1a O    28.1400  -21.1400
            25  C1x C    23.3100  -22.5400
            26  O1a O    24.5700  -24.6400
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22    2  19 1
            23   14  20 1
            24   14  21 1
            25   15  22 2
            26   18  23 1 #Up
            27   17  24 1 #Down
            28   13  25 1 #Up
            29   17  25 1 #Up
            30   11  26 1 #Down

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