Molecule FYI-1013839

A

Molecule Summary:

ID: FYI-1013839
Names:
InChIKey: QWSAYEBSTMCFKY-OTPOQTMVSA-N
SMILES: O=C(O)[C@H]3O[C@@H](Oc2cc(O)cc(/C=C/c1ccc(O)cc1)c2)[C@H](O)[C@@H](O)[C@@H]3O

Received at FYIcenter.com on: 2025-02-01

Molecule ID: FYI-1013839 Edit

Molecule Structure InChIKey: QWSAYEBSTMCFKY-OTPOQTMVSA-N

Molecule Structure SMILES String: O=C(O)[C@H]3O[C@@H](Oc2cc(O)cc(/C=C/c1ccc(O)cc1)c2)[C@H](O)[C@@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013839
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 14  9  1  0  0  0  0
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 16 15  1  6  0  0  0
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 20 22  1  6  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 19 25  1  1  0  0  0
 18 26  1  6  0  0  0
 17 27  1  1  0  0  0
 28 11  1  0  0  0  0
 29  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013839-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
    2.7878    0.1001    0.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    1.2450   -1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3067   -2.2049   -1.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -3.0606    0.7872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -0.8030   -3.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -1.8903    3.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020    0.3520    2.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067    5.0284    0.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9429   -2.3306    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0754   -1.8791   -1.2485 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.5281   -0.5717   -1.8220 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.3786   -0.0320   -0.9705 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4980   -0.7839    2.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    1.8962   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3028    1.9697   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861    3.8075    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767    3.2204    0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    1.3583   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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 28 48  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1123👍, 0💬