Molecule FYI-1015585

A

Molecule Summary:

ID: FYI-1015585
Names:
InChIKey: TWPVTOUKFXVBKI-ZHACJKMWSA-N
SMILES: C/C(C)=C\\CCC3(C)C=Cc2c(O)c(C(=O)/C=C/c1ccccc1O)cc(O)c2O3

Received at FYIcenter.com on: 2025-09-08

Molecule ID: FYI-1015585 Edit

Molecule Structure InChIKey: TWPVTOUKFXVBKI-ZHACJKMWSA-N

Molecule Structure SMILES String: C/C(C)=C\CCC3(C)C=Cc2c(O)c(C(=O)/C=C/c1ccccc1O)cc(O)c2O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015585
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   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
    8.4870   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    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
    2.4248    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    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  1  0  0  0  0
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  8  7  2  0  0  0  0
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 27 26  1  0  0  0  0
 28 10  1  0  0  0  0
 29  6  1  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015585-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
   -3.0559    0.5583    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    2.2069   -2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -1.0723    2.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023    0.7223   -2.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835   -1.2883   -1.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8286    2.3043   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9668    0.5063   -1.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1001👍, 0💬