Molecule FYI-1003623

A

Molecule Summary:

ID: FYI-1003623
Names:
InChIKey: QYGPJTDTVSRSHO-WOJBJXKFSA-N
SMILES: COc1ccc3c(c1)O[C@]4(C)c2cc(OC)c(OC)cc2OC[C@]34C

Received at FYIcenter.com on: 2023-07-12

Molecule ID: FYI-1003623 Edit

Molecule Structure InChIKey: QYGPJTDTVSRSHO-WOJBJXKFSA-N

Molecule Structure SMILES String: COc1ccc3c(c1)O[C@]4(C)c2cc(OC)c(OC)cc2OC[C@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003623
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.6123    9.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3998   10.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    9.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    8.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    7.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    8.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    9.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   10.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7221    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    7.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    6.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1642    8.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  6  1  0  0  0  0
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 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 18 24  1  1  0  0  0
  9 25  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003623-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    1.5420   -0.2200    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    0.3749   -0.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788    1.0310    1.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240    1.1576    2.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    1.8177    3.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596    2.3182    3.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    2.2082    2.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5745    1.5600    1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4014    2.6554    2.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5477    3.1444    3.6613 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9260    4.6217    3.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    2.3444    4.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5603    2.6774    5.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4806    1.6986    5.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3219    1.7792    6.8797 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0831    2.7225    7.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    0.4774    5.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6998   -0.2678    5.3214 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142   -1.4636    4.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5211    0.0999    4.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4719    0.9823    4.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    0.5121    4.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522    1.5274    5.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2225    2.8018    4.4069 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5609    3.9759    5.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -0.6698   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5201   -1.0102    0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5349    0.7395    2.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1733    1.4459    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168    4.7078    2.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1333    5.1427    4.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1323    5.1599    2.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4932    3.6385    5.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2099    2.4592    8.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0081    3.7563    7.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  1  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1976👍, 0💬