Molecule FYI-1005505

A

Molecule Summary:

ID: FYI-1005505
Names:
InChIKey: MZAYJJPWAHQMKV-IEUSDUHPSA-N
SMILES: COc4ccc(CCOC(=O)[C@@]2(C)CCC[C@]3(C)c1cc(O)ccc1CC[C@@H]23)cc4OC

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005505 Edit

Molecule Structure InChIKey: MZAYJJPWAHQMKV-IEUSDUHPSA-N

Molecule Structure SMILES String: COc4ccc(CCOC(=O)[C@@]2(C)CCC[C@]3(C)c1cc(O)ccc1CC[C@@H]23)cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005505
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    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
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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  7  6  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 23 14  1  0  0  0  0
 24 10  2  0  0  0  0
  9 25  1  6  0  0  0
  5 26  1  1  0  0  0
 27  5  1  0  0  0  0
 27  9  1  0  0  0  0
 28  2  1  0  0  0  0
 27 29  1  1  0  0  0
 30 29  1  0  0  0  0
 31  4  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005505-3D
FYIcenter.com

 66 69  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-11-09, 1247👍, 0💬