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
    7.1949    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.5750   -0.5856   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723   -0.8885   -1.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879   -2.5565    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5355   -0.1306   -1.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -1.7986    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4081    0.7562   -1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7754   -0.9156    0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5370    1.7250    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088    0.2349   -1.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4311    2.4923   -1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9804    4.3543    0.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469    3.7028    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8618   -0.0409    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3175   -1.2732   -2.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639   -1.1436   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7072    3.0401   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322   -1.0720    2.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402    1.8577   -1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1948   -3.9840   -0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   -2.9259   -1.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205   -2.7227    2.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    1.6404    1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    2.0485    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5529    3.9698    2.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192    1.7535    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4738    2.3929   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    4.1741   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399    4.0308    1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765   -0.5270   -2.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -3.5063    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    0.7873   -1.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591   -2.1595    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 39  1  0  0  0  0
  4 10  1  0  0  0  0
  4 40  1  0  0  0  0
  5 11  1  0  0  0  0
  5 42  1  0  0  0  0
  6 15  1  0  0  0  0
  6 50  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 19  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 955👍, 0💬