Molecule FYI-1007378

A

Molecule Summary:

ID: FYI-1007378
Names:
InChIKey: WDOPYKHYPKRXRJ-UHFFFAOYSA-N
SMILES: COc3cc2oc1cc(OC)c(C/C=C(C)\\C)c(O)c1c(=O)c2c(C/C=C(C)\\C)c3O

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007378 Edit

Molecule Structure InChIKey: WDOPYKHYPKRXRJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(OC)c(C/C=C(C)\C)c(O)c1c(=O)c2c(C/C=C(C)\C)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007378
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   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
    9.6995    5.6000    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
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   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
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   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
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
    8.4871    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
  4  3  2  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
  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
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
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 20  7  1  0  0  0  0
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 23  5  2  0  0  0  0
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 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 24  2  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007378-3D
FYIcenter.com

 59 61  0     0  0  0  0  0  0999 V2000
    0.3878   -2.3217    0.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229    1.7984   -1.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3347   -2.1025   -0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7531    1.5818   -0.9654 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838   -2.8461    0.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4842   -0.2322   -0.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.4206   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663   -0.2223   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    0.0973   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -1.7432    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -1.5566   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    0.4159   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3964    1.5068   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -0.7183   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7268   -2.5545    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0193   -2.0415    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    2.4599    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 30  1  0  0  0  0
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 31 59  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1399👍, 0💬