KEGG   COMPOUND: C14972
Entry
C14972                      Compound                               
Name
3-Deoxyestrone;
Adopron;
Estra-1,3,5(10)-trien-17-one
Formula
C18H22O
Exact mass
254.1671
Mol weight
254.3667
Structure
Other DBs
CAS: 53-45-2
PubChem: 17395970
ChEBI: 79496
NIKKAJI: J79.401E
LinkDB
KCF data

ATOM        19
            1   C1y C    30.5432  -20.2933
            2   C1y C    29.3705  -20.9668
            3   C1z C    30.5491  -18.9465
            4   C1x C    32.8709  -20.3226
            5   C1y C    28.2036  -20.2760
            6   C1x C    29.3705  -22.3196
            7   C1x C    29.3937  -18.2612
            8   C5x C    31.7278  -18.2845
            9   C1a C    30.5432  -17.5936
            10  C1x C    32.8890  -18.9753
            11  C8y C    27.0250  -20.9553
            12  C1x C    28.2154  -18.9288
            13  C1x C    28.1918  -22.9874
            14  C8y C    27.0192  -22.3080
            15  C8x C    25.8521  -20.2760
            16  C8x C    25.8521  -22.9815
            17  C8x C    24.6157  -20.9553
            18  C8x C    24.6095  -22.3080
            19  O5x O    31.6756  -16.8705
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22    8  19 2

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