Molecule FYI-1007138

A

Molecule Summary:

ID: FYI-1007138
Names:
InChIKey: YQTIWISENUYMQD-UHFFFAOYSA-N
SMILES: CC5CCC1C(C=CC(C)C1C(=O)c4c(O)c(C3(O)CCC(O)C2OC23)c[nH]c4=O)C5

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

Molecule ID: FYI-1007138 Edit

Molecule Structure InChIKey: YQTIWISENUYMQD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5CCC1C(C=CC(C)C1C(=O)c4c(O)c(C3(O)CCC(O)C2OC23)c[nH]c4=O)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007138
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.6380    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4331    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058    3.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0238    7.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    7.6511    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  2  0  0  0  0
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 29 21  1  0  0  0  0
 30 15  1  0  0  0  0
 31 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007138-3D
FYIcenter.com

 62 66  0  0  1  0  0  0  0  0999 V2000
    2.3094   -3.3097   -3.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922   -2.3437   -3.9864 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7874   -3.1210   -3.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6560    0.4763   -1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7698    1.2161   -1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
$$$$

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2024-02-11, 672👍, 0💬