Molecule FYI-1006688

A

Molecule Summary:

ID: FYI-1006688
Names:
InChIKey: MLZDXLKUYJKGMA-UHFFFAOYSA-N
SMILES: COc2cc(O)c(C(=O)c1ccccc1)c(O)c2c5cc(O)c4oc3cccc(O)c3c(=O)c4c5O

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006688 Edit

Molecule Structure InChIKey: MLZDXLKUYJKGMA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(O)c(C(=O)c1ccccc1)c(O)c2c5cc(O)c4oc3cccc(O)c3c(=O)c4c5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006688
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    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
    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 O   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
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
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 35 16  2  0  0  0  0
 35 11  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006688-3D
FYIcenter.com

 54 58  0     0  0  0  0  0  0999 V2000
   -4.3157    0.7949    1.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -0.5988   -1.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279    2.9350   -1.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7672    2.6741    2.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192   -0.2173    1.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127   -1.7239   -1.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    1.8788   -1.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9478    0.5627    2.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    1.1746    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4234    0.0520   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    1.3518   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765    0.1963   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0011    0.8769    0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2592   -0.9708   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6641   -1.0422   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806    2.0023    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260    1.8544    1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719    0.6450    0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1115   -0.1535    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618    2.2304   -1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187    0.8170    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.6956   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    2.4023   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3410   -1.4885    2.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   -1.3691   -1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 33  1  0  0  0  0
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  7 23  1  0  0  0  0
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  8 25  1  0  0  0  0
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 17 37  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 39  1  0  0  0  0
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 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
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 31 34  1  0  0  0  0
 31 46  1  0  0  0  0
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 35 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1117👍, 0💬