KEGG   COMPOUND: C14234Help
Entry
C14234                      Compound                               

Name
Dimethylstilbestrol;
(E)-4,4'-(1,2-Dimethyl-1,2-ethenediyl)bisphenol
Formula
C16H16O2
Exact mass
240.115
Mol weight
240.297
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 552-80-7
PubChem: 7847044
ChEBI: 34717
ChEMBL: CHEMBL269003
NIKKAJI: J66.338G
LinkDB All DBs
KCF data Show

ATOM        18
            1   C2c C    28.8977  -16.2417
            2   C2c C    28.9091  -17.6336
            3   C8y C    27.6805  -15.5486
            4   C1a C    30.1089  -15.5370
            5   C8y C    30.1206  -18.3324
            6   C1a C    27.7038  -18.3324
            7   C8x C    26.4690  -16.2417
            8   C8x C    27.6805  -14.1452
            9   C8x C    30.1206  -19.7302
            10  C8x C    31.3319  -17.6277
            11  C8x C    25.2578  -15.5486
            12  C8x C    26.4690  -13.4404
            13  C8x C    31.3378  -20.4290
            14  C8x C    32.5490  -18.3265
            15  C8y C    25.2578  -14.1452
            16  C8y C    32.5490  -19.7242
            17  O1a O    24.0406  -13.4404
            18  O1a O    33.7605  -20.4290
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    8  12 2
            12    9  13 1
            13   10  14 2
            14   11  15 2
            15   13  16 2
            16   15  17 1
            17   16  18 1
            18   12  15 1
            19   14  16 1

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