Molecule FYI-1007581

A

Molecule Summary:

ID: FYI-1007581
Names:
InChIKey: GZVIQGVWSNEONZ-RTBURBONSA-N
SMILES: Oc2ccc(CC[C@@H](O)C[C@H](O)CCc1ccc(O)cc1)cc2

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007581 Edit

Molecule Structure InChIKey: GZVIQGVWSNEONZ-RTBURBONSA-N

Molecule Structure SMILES String: Oc2ccc(CC[C@@H](O)C[C@H](O)CCc1ccc(O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007581
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    3.6373    2.1000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    0.0000    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
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  6  5  1  0  0  0  0
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  8  9  1  6  0  0  0
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 11 10  1  0  0  0  0
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 13 11  1  0  0  0  0
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 21 15  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007581-3D
FYIcenter.com

 47 48  0     1  0  0  0  0  0999 V2000
   -1.3048   -2.1863   -1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798   -2.0376    1.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4401    2.1056   -0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4056    2.1392   -0.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067   -0.4131   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2701   -1.2675    0.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2910   -1.2537    0.0049 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5263   -0.3826    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -0.4029   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450   -1.1669    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8692   -1.2121    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -0.2921    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0821   -0.3158    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6084    0.1575    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6550    0.0011   -1.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6462    0.0479   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6023    0.1751    1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7767    0.8296   -1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7823    0.8570   -1.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7239    1.0036    1.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3315    1.3164    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6789   -2.7880    1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2  7  1  0  0  0  0
  2 37  1  0  0  0  0
  3 22  1  0  0  0  0
  3 46  1  0  0  0  0
  4 23  1  0  0  0  0
  4 47  1  0  0  0  0
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  6 26  1  0  0  0  0
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 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$

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2024-03-17, 179👍, 0💬