Molecule FYI-1012016

A

Molecule Summary:

ID: FYI-1012016
Names:
InChIKey: ZIIAJIWLQUVGHB-UHFFFAOYSA-N
SMILES: COc3cc2oc(c1ccc(O)cc1)cc(=O)c2c(O)c3OC

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1012016 Edit

Molecule Structure InChIKey: ZIIAJIWLQUVGHB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2oc(c1ccc(O)cc1)cc(=O)c2c(O)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012016
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.8000    0.0000 C   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
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    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
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   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
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.5999    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  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
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012016-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    0.5576    0.5862   -0.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9066   -0.2181   -0.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8479    2.3361   -0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589   -2.3932   -0.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -3.2563   -0.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8675    0.9640    0.1045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216   -0.9527   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911    0.3363   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045   -1.1475   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4922   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006   -2.0990   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429    1.4407   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -0.0410   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0247    1.2504   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0406   -1.7773   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551   -0.1107    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666    0.0511   -1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    0.0905    1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137    0.4116   -1.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    0.4512    1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534    0.6118    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6522    0.3380    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269    3.6198   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    2.4170   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444   -2.6018    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0818   -0.1004   -2.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -0.0300    2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4594    0.5355   -2.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3327    0.6044    2.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711   -3.0756   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579    0.4170    1.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5000   -0.3240    1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0483    1.3174    0.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601    3.7938    0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0290    4.3651   -0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215    3.7767   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    1.0607    1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  2  0  0  0  0
  6 21  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
$$$$

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