Molecule Editor

Molecule ID: FYI-1010168 Edit

Molecule Structure InChIKey: ZRFHANMLDVJQDW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4[nH]c(=O)n(C3OC(CO)C(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C3O)cc4Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1010168
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.9180    6.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3104    6.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    7.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    7.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    8.8007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    8.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417    9.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    7.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    8.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    6.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0027    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840    4.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    9.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1332    5.2565    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  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  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  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
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
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 33 32  1  0  0  0  0
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 37 19  1  0  0  0  0
 38 18  1  0  0  0  0
 39 10  1  0  0  0  0
 40  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010168-3D
FYIcenter.com

 71 74  0  0  1  0  0  0  0  0999 V2000
    4.5108    4.4903   -5.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5720    2.0616   -4.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8684    0.8860   -4.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8860    2.7355   -2.9123 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5561    1.9627   -1.8701 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2339    2.4941   -0.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0868    1.7662    0.3550 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2506    0.5950    0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    1.1241    1.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3968    1.4325   -0.4022 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7877    0.0498   -0.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1594   -0.1863   -0.6398 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3033   -0.2896   -2.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5140   -1.3411   -2.6232 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6690   -1.1879   -4.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -0.0743   -4.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569   -2.7567   -2.0960 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6545   -3.6025   -2.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0778   -3.4999   -2.9644 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5334   -2.4403   -3.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327   -2.6668   -5.2174 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7590   -1.4182   -6.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4508   -6.2421   -5.2933 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7202   -4.8698   -3.3893 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1482   -5.9711   -2.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243   -2.7544   -0.5652 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8583   -3.9232   -0.1792 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6970   -1.4410    1.4139 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$