Molecule FYI-1005747

A

Molecule Summary:

ID: FYI-1005747
Names:
InChIKey: MOYZEMOPQDTDHA-ZOONQSOGSA-N
SMILES: C1C(CC2C3C(C1N2)O3)OC(=O)C(CO)C4=CC=CC=C4

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005747 Edit

Molecule Structure InChIKey: MOYZEMOPQDTDHA-ZOONQSOGSA-N

Molecule Structure SMILES String: C1C(CC2C3C(C1N2)O3)OC(=O)C(CO)C4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005747
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
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    7.2199   -0.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7716    0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3221   -1.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7125    1.6055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6074   -0.9350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9494    0.0047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2347   -0.3430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9759    0.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9630   -1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1858   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  1  0  0  0
  7  1  1  1  0  0  0
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  3 13  2  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5  8  1  0  0  0  0
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 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005747-3D
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
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   -0.3915   -0.9570   -0.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096    0.2307    1.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -3.3046    0.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8681    0.9841   -1.2179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9643    0.9670    1.1054 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5568   -0.2927    0.5994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1762    1.5525   -0.0388 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1063   -0.4258   -0.8333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7317    1.0243   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605   -1.1641   -0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705   -0.5176   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -0.5056    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.0529   -0.3662 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1128   -0.0570   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -2.4211    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307    0.8736   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952   -0.1114    0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    1.7875   -1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    0.8027    1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1782    1.7521    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
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 14 16  1  0  0  0  0
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M  END
$$$$

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2023-11-18, 2728👍, 0💬