KEGG   COMPOUND: C14303Help
Entry
C14303                      Compound                               

Name
Equilenin;
3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one
Formula
C18H18O2
Exact mass
266.1307
Mol weight
266.3343
Structure
Mol fileKCF fileDB search
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C14303  Equilenin
BRITE hierarchy
Other DBs
CAS: 517-09-9
PubChem: 17395303
ChEBI: 34739
ChEMBL: CHEMBL225546
PDB-CCD: EQU[PDBj]
NIKKAJI: J6.326F
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    28.8191  -19.5730
            2   C8y C    27.6649  -20.2360
            3   C1z C    28.8247  -18.2474
            4   C1x C    31.2494  -19.6015
            5   C8y C    26.5163  -19.5558
            6   C8x C    27.6649  -21.5671
            7   C1x C    27.6878  -17.5730
            8   C5x C    29.9847  -17.5958
            9   C1a C    28.8191  -16.7791
            10  C1x C    31.1979  -18.2758
            11  C8y C    25.3563  -20.2245
            12  C1x C    26.5269  -18.2300
            13  C8x C    26.5048  -22.2243
            14  C8y C    25.3508  -21.5557
            15  C8x C    24.2022  -19.5558
            16  C8x C    24.2022  -22.2186
            17  C8x C    22.9845  -20.2245
            18  C8y C    22.9775  -21.5557
            19  O1a O    21.7508  -22.3267
            20  O5x O    29.9852  -16.3337
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            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 2
            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   18  19 1
            23    8  20 2

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