Molecule FYI-1007376

A

Molecule Summary:

ID: FYI-1007376
Names:
InChIKey: CBJOAWVLOKXBRE-VAWYXSNFSA-N
SMILES: COc3cc2oc1cc(O)c(OC)c(/C=C/C(C)(C)O)c1c(=O)c2c(CC(C)C)c3C/C=C(C)\\C

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

Molecule ID: FYI-1007376 Edit

Molecule Structure InChIKey: CBJOAWVLOKXBRE-VAWYXSNFSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(O)c(OC)c(/C=C/C(C)(C)O)c1c(=O)c2c(CC(C)C)c3C/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007376
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
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 21 14  2  0  0  0  0
 21  7  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  5  2  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007376-3D
FYIcenter.com

 71 73  0  0  0  0  0  0  0  0999 V2000
    2.4047   -0.9747   -1.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -0.0447   -0.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0966    1.2357   -1.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9189    9.1480   -0.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3129    4.7910   -1.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 71  1  0  0  0  0
M  END
$$$$

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2024-02-28, 764👍, 0💬