Molecule FYI-1013643

A

Molecule Summary:

ID: FYI-1013643
Names:
InChIKey: MSFCYXWSHBDOEN-USJPSSHXSA-N
SMILES: O=C3C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(c2ccc(O)cc2)OC4=CC(O)=CC(O)C34

Received at FYIcenter.com on: 2025-01-19

Molecule ID: FYI-1013643 Edit

Molecule Structure InChIKey: MSFCYXWSHBDOEN-USJPSSHXSA-N

Molecule Structure SMILES String: O=C3C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C(c2ccc(O)cc2)OC4=CC(O)=CC(O)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013643
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   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 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    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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  5  4  1  0  0  0  0
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 20  6  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 27  4  2  0  0  0  0
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 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013643-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    1.5948   -3.0556   -3.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5363   -3.1772   -1.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709   -3.4209   -1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561   -2.4141   -1.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666   -1.1981   -1.7830 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4373   -0.0509   -0.9174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199    1.1846   -1.6333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1024    2.3527   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0874    3.6156   -1.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647    1.3755   -2.6431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2734    2.6386   -3.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2500   -2.2064   -3.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252   -4.6175   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374   -5.2782    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661   -4.8749   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0622   -6.5947    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101   -7.2397    1.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -7.0412    1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -6.3851    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 16  2  0  0  0  0
  5  6  1  0  0  0  0
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  5  4  1  0  0  0  0
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  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  6  0  0  0
  8  9  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1079👍, 0💬