Molecule FYI-1001887

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Molecule Summary:

ID: FYI-1001887
SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)O)OC)C(=O)OC

Received at FYIcenter.com on: 2022-12-26

Molecule ID: FYI-1001887 Edit

Molecule Structure SMILES String: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(C4(C3=O)O)O)OC)O)OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001887
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
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 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 22  8  1  0  0  0  0
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 28 15  1  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001887-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    0.8675   -0.3025   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860   -0.3323   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -1.5700   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987   -1.5865   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960   -0.3791   -0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    0.8504   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    1.9778   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001    3.2193    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    3.3684    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130    2.2090   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1142    0.9128   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    2.2947   -0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3681    4.8079    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1423    4.7677    0.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    6.4152    0.7119 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8057    6.4387    2.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0221    7.1430    2.7404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868    5.3203    2.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728    4.8534    1.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333    5.3647   -0.1713 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0125    6.2937    0.7594 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9430    4.6162    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668    4.5012    0.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    7.5166    0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6940    5.6017   -1.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556    3.8628    2.3595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    4.0217    3.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    7.6340    0.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1457   -2.7956   -0.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700   -2.7884   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3362   -2.8526   -0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8878    3.9611    4.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8503   -5.8380    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 37  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
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  7  8  1  0  0  0  0
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 13 14  2  0  0  0  0
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 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-11, 1507👍, 0💬