Molecule FYI-1002483

A

Molecule Summary:

ID: FYI-1002483
Names:
InChIKey: OBWASQILIWPZMG-RQPXCORLSA-N
SMILES: OC[C@H]4OC(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-1002483 Edit

Molecule Structure InChIKey: OBWASQILIWPZMG-RQPXCORLSA-N

Molecule Structure SMILES String: OC[C@H]4OC(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-1002483
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
 16  6  1  0  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-1002483-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
    0.6848   -4.0308    1.9687 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9174    1.1822    0.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7800    0.1103   -0.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5739   -1.6052   -1.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0132    2.8884   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627    3.1819    2.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    3.5674    0.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7096    0.1545   -0.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4551    0.5741   -0.9065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4720   -0.5259   -0.4967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2044    1.8636   -0.1251 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0281   -0.0005   -0.4963 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7266    2.2548   -0.1825 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1005   -1.0029    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177    3.4762    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -1.4913   -0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114   -1.4509    1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -2.4272   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    1.5546   -0.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9859   -2.9248   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451   -2.3869    1.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -2.8751    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090    2.1296    0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8902    2.2754   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1678    3.5702    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -2.1016   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3723   -0.8885   -1.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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  3  9  1  0  0  0  0
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  5 42  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
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 29 31  2  0  0  0  0
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 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1647👍, 0💬