KEGG   COMPOUND: C15106
Entry
C15106                      Compound                               
Name
3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
Formula
C22H34N2O2
Exact mass
358.262
Mol weight
358.5176
Structure
Other DBs
PubChem: 17396103
ChEBI: 79625
NIKKAJI: J2.792.939G
LinkDB
KCF data

ATOM        26
            1   C1y C    22.4870  -18.1406
            2   C1y C    21.3683  -17.5054
            3   C1y C    23.5943  -17.4937
            4   C1x C    22.4637  -19.4109
            5   C1z C    20.2728  -18.1523
            6   C1x C    21.3624  -16.2234
            7   C1z C    23.5943  -16.2118
            8   C1x C    25.8204  -17.4996
            9   C1x C    21.3800  -20.0519
            10  C2y C    20.2728  -19.4226
            11  C1x C    19.1715  -17.5230
            12  C1a C    20.2552  -16.6780
            13  C1x C    22.4754  -15.5767
            14  C1y C    24.7189  -15.5708
            15  C1x C    25.8261  -16.2177
            16  C2x C    19.1715  -20.0636
            17  C1x C    18.0876  -18.1523
            18  C1c C    24.7189  -14.3121
            19  C2y C    18.0876  -19.4226
            20  C2b C    25.8087  -13.6945
            21  C1a C    23.5943  -14.8118
            22  C1a C    23.4886  -13.5957
            23  N2b N    27.0426  -14.4198
            24  N2b N    16.8654  -20.1200
            25  O1b O    15.6470  -19.4086
            26  O1b O    28.2431  -13.7389
BOND        29
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   18  22 1 #Up
            26   20  23 2
            27   19  24 2
            28   24  25 1
            29   23  26 1

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