Molecule FYI-1002406

A

Molecule Summary:

ID: FYI-1002406
Names:
InChIKey: OROGSEYTTFOCAN-DNJOTXNNSA-N
SMILES: COc1ccc2C[C@@H]5[C@@H]3C=C[C@H](O)[C@@H]4Oc1c2[C@]34CCN5C

Received at FYIcenter.com on: 2023-03-14

Molecule ID: FYI-1002406 Edit

Molecule Structure InChIKey: OROGSEYTTFOCAN-DNJOTXNNSA-N

Molecule Structure SMILES String: COc1ccc2C[C@@H]5[C@@H]3C=C[C@H](O)[C@@H]4Oc1c2[C@]34CCN5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002406
FYIcenter.com

 22 26  0  0  1  0  0  0  0  0999 V2000
    6.7509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569    0.7910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521    0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8306    2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    3.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7497    0.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  2  0  0  0  0
  6 21  1  6  0  0  0
 19 22  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002406-3D
FYIcenter.com

 43 47  0     1  0  0  0  0  0999 V2000
   -1.5926   -1.0371    1.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298   -3.2224   -0.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    0.7880    0.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2987    0.7132    0.4612 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.7585   -0.6767    0.6654 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8071   -1.0215   -0.4031 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5499    0.3087   -0.7532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3170   -1.7404    0.9876 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4691   -0.1453    1.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533    0.3674    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    1.4045   -1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.0021    1.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4599   -2.8532   -0.0835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1865   -1.7246   -1.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1370   -2.5460   -1.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2548    1.7894    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 40  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
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 22 43  1  0  0  0  0
M  END
$$$$

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2023-04-13, 2774👍, 0💬