Molecule FYI-1005949

A

Molecule Summary:

ID: FYI-1005949
Names:
InChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-N
SMILES: COc3c(O)cc2oc1cc(O)c(C/C=C(C)\\C)c(O)c1c(=O)c2c3C/C=C(C)\\C

Received at FYIcenter.com on: 2023-11-23

Molecule ID: FYI-1005949 Edit

Molecule Structure InChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3c(O)cc2oc1cc(O)c(C/C=C(C)\C)c(O)c1c(=O)c2c3C/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005949
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.4000    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
    8.4871    3.5000    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
   10.9119    3.5000    0.0000 O   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    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
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    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
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    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
  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  4  1  0  0  0  0
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 10  9  2  0  0  0  0
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 21  9  1  0  0  0  0
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 24  7  1  0  0  0  0
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 25  3  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005949-3D
FYIcenter.com

 56 58  0     0  0  0  0  0  0999 V2000
    0.2186   -2.4669    0.3592 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3037   -0.3112    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.5727   -1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944    1.4023   -0.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9462   -0.0258   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2902   -1.6863   -0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8387   -2.1284    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    2.3639    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
$$$$

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2023-12-29, 2155👍, 0💬