KEGG   COMPOUND: C02942
Entry
C02942                      Compound                               
Name
3-Oxo-hydroxysteroid
Formula
C21H30O4
Exact mass
346.2144
Mol weight
346.4605
Structure
Other DBs
PubChem: 5861
ChEBI: 182766
PDB-CCD: C0R[PDBj]
NIKKAJI: J1.481.849I
KCF data

ATOM        25
            1   C1y C    17.7782  -15.4712
            2   C1y C    18.9651  -16.1552
            3   C1z C    16.6029  -16.1612
            4   C1y C    17.7665  -14.1030
            5   C1y C    20.1520  -15.4536
            6   C1x C    18.9710  -17.5234
            7   C2y C    16.6029  -17.5177
            8   C1x C    15.4336  -15.4887
            9   C1a C    16.5912  -14.8221
            10  C1x C    18.9534  -13.4071
            11  O1a O    16.5621  -13.4188
            12  C1z C    20.1580  -14.0854
            13  C1x C    22.5376  -15.4595
            14  C1x C    17.7841  -18.1900
            15  C2x C    15.4336  -18.1959
            16  C1x C    14.2701  -16.1612
            17  C1y C    21.3449  -13.4014
            18  C1a C    20.1520  -12.7406
            19  C1x C    22.5435  -14.0971
            20  C5x C    14.2701  -17.5177
            21  C5a C    21.3506  -12.0683
            22  O5x O    13.1066  -18.1783
            23  C1b C    22.5201  -11.3958
            24  O5a O    20.1931  -11.3841
            25  O1a O    23.7187  -12.0975
BOND        28
            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    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    7  15 2
            15    8  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   17  21 1
            21   20  22 2
            22   21  23 1
            23   21  24 2
            24   23  25 1
            25    7  14 1
            26   10  12 1
            27   16  20 1
            28   17  19 1

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