KEGG   COMPOUND: C14551
Entry
C14551                      Compound                               
Name
Diethylstilbestrol monomethyl ether;
Mestilbol
Formula
C19H22O2
Exact mass
282.162
Mol weight
282.3768
Structure
Other DBs
CAS: 7773-60-6
PubChem: 17395551
ChEBI: 34702
NIKKAJI: J8.968K
LinkDB
KCF data

ATOM        21
            1   C2c C    23.4326  -17.0777
            2   C2c C    23.4439  -18.4693
            3   C8y C    22.2156  -16.3848
            4   C8y C    24.6552  -19.1679
            5   C8x C    21.0044  -17.0777
            6   C8x C    22.2156  -14.9817
            7   C8x C    24.6552  -20.5654
            8   C8x C    25.8662  -18.4634
            9   C8x C    19.7935  -16.3848
            10  C8x C    21.0044  -14.2771
            11  C8x C    25.8721  -21.2640
            12  C8x C    27.0830  -19.1620
            13  C8y C    19.7935  -14.9817
            14  C8y C    27.0830  -20.5594
            15  C1b C    24.6519  -16.3620
            16  C1a C    25.8679  -17.0525
            17  C1b C    22.2344  -19.1745
            18  C1a C    21.0407  -18.4920
            19  O1a O    18.5916  -14.2904
            20  O2a O    28.3108  -21.2653
            21  C1a C    29.4925  -20.5801
BOND        22
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 2
            12    9  13 2
            13   11  14 2
            14   10  13 1
            15   12  14 1
            16    1  15 1
            17   15  16 1
            18    2  17 1
            19   17  18 1
            20   13  19 1
            21   14  20 1
            22   20  21 1

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