KEGG   COMPOUND: C15078
Entry
C15078                      Compound                               
Name
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime;
3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-one
Formula
C19H23NO3
Exact mass
313.1678
Mol weight
313.3908
Structure
Other DBs
CAS: 40822-17-1
PubChem: 17396075
ChEBI: 79597
NIKKAJI: J1.019.838K
LinkDB
KCF data

ATOM        23
            1   C1y C    24.0332  -16.7933
            2   C1y C    22.8605  -17.4668
            3   C1z C    24.0391  -15.4465
            4   C1x C    26.3609  -16.8226
            5   C1y C    21.6936  -16.7760
            6   C1x C    22.8605  -18.8196
            7   C1x C    22.8837  -14.7612
            8   C5x C    25.2178  -14.7845
            9   C1a C    24.0332  -14.0936
            10  C2y C    26.3790  -15.4753
            11  C8y C    20.5150  -17.4553
            12  C1x C    21.7054  -15.4288
            13  C1x C    21.6818  -19.4874
            14  C8y C    20.5092  -18.8080
            15  C8x C    19.3421  -16.7760
            16  C8x C    19.3421  -19.4815
            17  C8x C    18.1057  -17.4553
            18  C8y C    18.0995  -18.8080
            19  N2b N    27.6113  -14.7856
            20  O5x O    25.1656  -13.3705
            21  O2a O    16.9084  -19.5139
            22  C1a C    15.7189  -18.8452
            23  O1b O    28.7843  -15.4839
BOND        26
            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   10  19 2
            23    8  20 2
            24   18  21 1
            25   21  22 1
            26   19  23 1

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