Molecule FYI-1006264

A

Molecule Summary:

ID: FYI-1006264
Names:
InChIKey: HCUFUYZBRCWICV-UHFFFAOYSA-N
SMILES: COc4cc(C2C=CON3C(c1cc(OC)c(O)c(OC)c1)C=CON23)cc(OC)c4O

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006264 Edit

Molecule Structure InChIKey: HCUFUYZBRCWICV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc(C2C=CON3C(c1cc(OC)c(O)c(OC)c1)C=CON23)cc(OC)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006264
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    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
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
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 13 12  2  0  0  0  0
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 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  6  1  0  0  0  0
 26 10  1  0  0  0  0
 27  5  2  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 28  2  0  0  0  0
 31  3  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006264-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    2.0345   -0.9349    2.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115    0.3279    2.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.9915    2.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0391    2.3619    1.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071    3.1938    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    4.4670    0.4309 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7789    4.9088    1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    4.4558    1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762    3.5010    0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751    3.4215   -0.9521 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.5671    2.0195   -1.1401 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6337    0.8063   -1.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428    0.9512   -0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934   -0.1167   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987   -0.0398    0.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236    1.2749    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -1.3763   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -2.4106    0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -1.5940   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9072   -2.8570   -0.2456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1729   -3.2484   -0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -0.4939   -0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119    2.0027   -2.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014    3.1040   -2.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    4.3163   -2.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6888    2.6864    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    1.3241    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150    0.6924   -0.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2928    0.4756    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -0.8663    1.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2851   -0.6097   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    1.0717   -2.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
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 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$

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2023-12-14, 326👍, 0💬