Molecule FYI-1003050

A

Molecule Summary:

ID: FYI-1003050
Names:
InChIKey: VCPZVNMTXCALPA-UHFFFAOYSA-N
SMILES: C=C1CCCC(C)(C)C1Cc4c(O)cc3oc(c2ccc(O)c(O)c2)cc(=O)c3c4O

Received at FYIcenter.com on: 2023-05-09

Molecule ID: FYI-1003050 Edit

Molecule Structure InChIKey: VCPZVNMTXCALPA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C1CCCC(C)(C)C1Cc4c(O)cc3oc(c2ccc(O)c(O)c2)cc(=O)c3c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003050
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.5678    6.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9221    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1358    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3493    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3493    7.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1358    8.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2814    8.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814    9.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2215    5.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
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 29 25  1  0  0  0  0
 30 11  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003050-3D
FYIcenter.com

 57 60  0     1  0  0  0  0  0999 V2000
    1.9262    1.8945   -0.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0163   -2.8634   -1.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-05-31, 2077👍, 0💬