Molecule FYI-1001259

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A

Molecule Summary:

ID: FYI-1001259
SMILES: C=1(C=CC(=CC=1)N(C)C)(OC(C(OC=2(C(=CC=C(C=2)O)CC=3(C(=CC=CC=3)O)))=O)(C)C)

Received at FYIcenter.com on: 2022-04-17

Molecule ID: FYI-1001259 Edit

Molecule Structure SMILES String: C=1(C=CC(=CC=1)N(C)C)(OC(C(OC=2(C(=CC=C(C=2)O)CC=3(C(=CC=CC=3)O)))=O)(C)C)

Download SDF Download SVG Structure in 2D SDF:

FYI-1001259
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    5.4124    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  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 12  2  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001259-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    2.8895    0.7745    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    2.1494    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779    2.9915    1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5235    2.4864    2.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4315    1.1127    3.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957    0.2794    2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908    3.3460    4.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    2.8181    5.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    4.1111    3.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.0087   -0.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -1.3575   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -2.2317    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.9435    1.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -3.7589    2.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6866   -4.1386    3.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -5.1192    4.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -5.6268    4.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -5.1416    3.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324   -4.2326    2.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -5.5490    3.7794 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465   -3.4866    3.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -4.0336    2.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881   -3.4705    3.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556   -3.9291    2.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613   -4.9618    1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
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 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
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 31 58  1  0  0  0  0
M  END
$$$$

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2022-05-01, 1041👍, 0💬