Molecule Editor

Molecule ID: FYI-1015950 Edit

Molecule Structure InChIKey: DQBVFTJNUYZVQL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5OC(Oc4cc(O)c3c(=O)c(OC1OCC(O)C(O)C1O)c(c2ccc(O)cc2)oc3c4)C(O)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015950
FYIcenter.com

 40 44  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    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
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 16  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
 36 33  1  0  0  0  0
 37 11  1  0  0  0  0
 38  5  1  0  0  0  0
 39  4  1  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015950-3D
FYIcenter.com

 68 72  0  0  1  0  0  0  0  0999 V2000
   -0.3737    0.1721   -5.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235   -0.4397   -4.5886 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8343    0.4281   -3.8462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    0.5236   -4.3469 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9203    1.4087   -3.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    2.7123   -3.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    3.3899   -2.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745    4.7476   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    5.3970   -1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343    5.4434   -3.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975    6.9016   -3.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    7.4948   -2.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912    7.5746   -4.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546    8.9432   -4.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3444    9.7288   -3.1704 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375    9.6063   -2.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   10.0304   -2.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   11.4455   -2.9438 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7729   12.4341   -1.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   11.6906   -4.0396 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0947   13.0867   -4.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463   11.2131   -3.5790 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4483   11.4135   -4.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528    6.7832   -5.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535    7.3499   -6.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022    7.7359   -7.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    8.3021   -8.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992    8.4791   -8.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    9.0322   -9.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606    8.0968   -7.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    7.5303   -6.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    5.4228   -5.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6151    4.7695   -4.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512    3.3964   -4.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -0.8673   -4.3091 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8998   -1.4104   -2.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5525   -1.8627   -4.6738 C   0  0  3  0  0  0  0  0  0  0  0  0
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 40 68  1  0  0  0  0
M  END
$$$$