Molecule FYI-1002484

A

Molecule Summary:

ID: FYI-1002484
Names:
InChIKey: OBWASQILIWPZMG-QZMOQZSNSA-N
SMILES: OC[C@H]4O[C@@H](c3ccc(Cl)c(Cc2ccc(O[C@H]1CCOC1)cc2)c3)[C@H](O)[C@@H](O)[C@@H]4O

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002484 Edit

Molecule Structure InChIKey: OBWASQILIWPZMG-QZMOQZSNSA-N

Molecule Structure SMILES String: OC[C@H]4O[C@@H](c3ccc(Cl)c(Cc2ccc(O[C@H]1CCOC1)cc2)c3)[C@H](O)[C@@H](O)[C@@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002484
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    9.6197    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    9.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9824    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    2.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  1  9  2  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  6  0  0  0
  9 15  1  0  0  0  0
 13 10  1  0  0  0  0
 13  4  1  0  0  0  0
 13 14  1  1  0  0  0
 12 15  1  0  0  0  0
  6 16  1  6  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 23  1  0  0  0  0
 31 30  2  0  0  0  0
 31 20  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002484-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
   -0.7423    4.3515    0.8154 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2659    0.1767   -0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059   -3.7588    0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299   -1.6573    1.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -3.0912   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026    0.9816   -1.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0788   -2.7764    0.4135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1636   -0.7353   -0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.5168    0.6371 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7579   -1.4326    0.7820 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8203   -2.1743   -0.4750 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3944   -0.0357    0.8445 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.3507    1.0641    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2591   -0.3457   -1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    1.1671   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    1.9703    1.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.1790   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6491   -0.8929    0.5717 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4273    2.2572   -1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193    2.9821    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319    3.0865    0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0794   -0.4197    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 58  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1743👍, 0💬