Molecule FYI-1006675

A

Molecule Summary:

ID: FYI-1006675
Names:
InChIKey: UYRSHPRUDIHQKU-UHFFFAOYSA-N
SMILES: C/C(C)=C/Cc4ccc3c(=O)c2c(O)cc1C=CC(C)(C)Oc1c2oc3c4O

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

Molecule ID: FYI-1006675 Edit

Molecule Structure InChIKey: UYRSHPRUDIHQKU-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C/Cc4ccc3c(=O)c2c(O)cc1C=CC(C)(C)Oc1c2oc3c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006675
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9124    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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  2  0  0  0  0
 17 10  1  0  0  0  0
 18  6  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 19  3  1  0  0  0  0
 20  5  2  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006675-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
    2.5952    1.7160   -0.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061    0.4092   -0.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6054   -3.7708    0.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235   -3.6443    0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584    1.9098   -0.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    2.4851   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    0.3593    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -0.3351   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173   -0.3349    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048   -1.7202    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634    1.7084    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0714    0.3867    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    3.1617   -1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770    3.5498    1.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0569   -1.6150   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969   -0.2379   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -1.7250    0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -2.4194    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.4333   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    0.5604   -0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2648   -0.0212   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3160   -2.2026   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197   -1.4002   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5103   -0.1397    0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2274    2.1358    2.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9982    2.2559    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9838   -0.1472    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968    3.7436   -1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132    2.4146   -2.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5983   -0.0170    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2827   -0.7734    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2010   -0.6772    1.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3046    2.3306    2.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7143    3.1012    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9757    1.6897    2.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  1  0  0  0  0
  5 44  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 13 33  1  0  0  0  0
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 15 16  2  0  0  0  0
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 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
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 26 27  1  0  0  0  0
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 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 213👍, 0💬