KEGG   COMPOUND: C14257Help
Entry
C14257                      Compound                               

Name
Methyltrienolone;
Metribolone;
17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one
Formula
C19H24O2
Exact mass
284.1776
Mol weight
284.3927
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 965-93-5
PubChem: 7847067
ChEBI: 379896
ChEMBL: CHEMBL166444
LipidBank: SST0266
PDB-CCD: R18[PDBj]
NIKKAJI: J134.074C
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    21.7671  -15.1993
            2   C5x C    21.7671  -16.5618
            3   C2x C    22.9470  -17.2431
            4   C2y C    24.1270  -16.5618
            5   C2y C    24.1270  -15.1993
            6   C1x C    22.9470  -14.5180
            7   C1x C    25.3069  -17.2431
            8   C1x C    26.4868  -16.5618
            9   C1y C    26.4868  -15.1993
            10  C2y C    25.3069  -14.5180
            11  C1y C    27.6669  -14.5180
            12  C1z C    27.6669  -13.1555
            13  C2x C    26.4868  -12.4743
            14  C2x C    25.3069  -13.1555
            15  C1x C    30.0268  -14.5180
            16  C1x C    30.0268  -13.1555
            17  C1z C    28.8468  -12.4743
            18  O1a O    28.8468  -11.1118
            19  C1a C    27.6239  -11.7930
            20  O5x O    20.5871  -17.2431
            21  C1a C    30.1461  -12.1486
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 2
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   12  19 1 #Up
            23    2  20 2
            24   17  21 1 #Down

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