Molecule FYI-1010904

A

Molecule Summary:

ID: FYI-1010904
Names:
InChIKey: FDWJUXZXNAQEPD-UHFFFAOYSA-N
SMILES: COc3cc(O)c2c(O)c1C(=O)OC(C)Cc1cc2c3c5c(OC)cc(O)c6c(O)c4C(=O)OC(C)Cc4cc56

Received at FYIcenter.com on: 2024-07-17

Molecule ID: FYI-1010904 Edit

Molecule Structure InChIKey: FDWJUXZXNAQEPD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(O)c2c(O)c1C(=O)OC(C)Cc1cc2c3c5c(OC)cc(O)c6c(O)c4C(=O)OC(C)Cc4cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1010904
FYIcenter.com

 40 45  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    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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   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
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 35 18  1  0  0  0  0
 36 35  1  0  0  0  0
 37  6  1  0  0  0  0
 38  5  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 40  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010904-3D
FYIcenter.com

 66 71  0     1  0  0  0  0  0999 V2000
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   -1.6736    0.6697    0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8908   -1.0097   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4417    4.0697    2.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
  2 26  1  0  0  0  0
  2 34  1  0  0  0  0
  3 29  1  0  0  0  0
  3 39  1  0  0  0  0
  4 30  1  0  0  0  0
  4 40  1  0  0  0  0
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 25 37  1  0  0  0  0
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 26 48  1  0  0  0  0
 29 35  1  0  0  0  0
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 40 66  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1309👍, 0💬