KEGG   COMPOUND: C18164
Entry
C18164                      Compound                               
Name
Deoxymiroestrol
Formula
C20H22O5
Exact mass
342.1467
Mol weight
342.3857
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Others
    C18164  Deoxymiroestrol
Other DBs
PubChem: 96024380
ChEBI: 81554
NIKKAJI: J1.491.291F
LinkDB
KCF data

ATOM        25
            1   C8x C    12.4600  -18.3400
            2   C8y C    12.4600  -19.7400
            3   C8x C    13.6724  -20.4400
            4   C8y C    14.8849  -19.7400
            5   C8y C    14.8849  -18.3400
            6   C8x C    13.6724  -17.6400
            7   O2x O    16.0973  -20.4400
            8   C2x C    17.3097  -19.7400
            9   C2y C    17.3097  -18.3400
            10  C1y C    16.0973  -17.6400
            11  C1y C    18.5222  -17.6400
            12  C1y C    18.5222  -16.2400
            13  C1y C    17.3097  -15.5400
            14  C1z C    16.0973  -16.2400
            15  C5x C    19.7346  -18.3400
            16  C1x C    20.9470  -17.6400
            17  C1z C    20.9470  -16.2400
            18  C1y C    19.7346  -15.5400
            19  O1a O    11.2476  -20.4400
            20  C1a C    15.1074  -15.2501
            21  C1a C    14.8849  -16.9400
            22  O5x O    19.7346  -19.7400
            23  O1a O    19.7346  -14.1400
            24  O1a O    22.1466  -15.5473
            25  C1x C    17.3097  -16.9400
BOND        29
            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

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