Molecule FYI-1006107

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Molecule Summary:

ID: FYI-1006107
Names:
InChIKey: ZZAJQOPSWWVMBI-UHFFFAOYSA-N
SMILES: COc3ccc(c2coc1cc(O)ccc1c2=O)cc3O

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006107 Edit

Molecule Structure InChIKey: ZZAJQOPSWWVMBI-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(c2coc1cc(O)ccc1c2=O)cc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006107
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  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
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  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
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006107-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
   -2.0085    1.8474   -0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477   -1.9224   -0.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725    0.0683   -0.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456    0.2192    2.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4414    0.1722    0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    0.4229   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3601   -0.5514   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    0.3302   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060   -0.7873   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    0.7584   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550    1.6160   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    0.3179    0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    0.2546   -1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -1.6231    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096    1.0042    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.2302    0.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137    0.1546   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4879    0.1670   -1.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1021   -0.0640    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6243   -1.3747    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395   -1.2403   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293    2.5619   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453    0.3755    1.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    0.2621   -2.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009   -2.6508    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5840    2.0246   -0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002    0.1089   -2.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3121   -2.2134    0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1958    0.1946    1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9092   -0.6785    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8382   -1.7958   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379   -1.7857    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2285   -1.1416   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  2  0  0  0  0
 13 24  1  0  0  0  0
 14 20  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1543👍, 0💬