Molecule FYI-1005113

A

Molecule Summary:

ID: FYI-1005113
Names:
InChIKey: UZHSEJADLWPNLE-GRGSLBFTSA-N
SMILES: C=CCN4CC[C@]23c1c5ccc(O)c1O[C@H]2C(=O)CC[C@@]3(O)[C@H]4C5

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005113 Edit

Molecule Structure InChIKey: UZHSEJADLWPNLE-GRGSLBFTSA-N

Molecule Structure SMILES String: C=CCN4CC[C@]23c1c5ccc(O)c1O[C@H]2C(=O)CC[C@@]3(O)[C@H]4C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005113
FYIcenter.com

 24 28  0  0  1  0  0  0  0  0999 V2000
    8.4470    6.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    6.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    4.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284    3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325    2.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    0.6810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    2.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9795    3.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6290    0.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7493    1.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1817    0.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005113-3D
FYIcenter.com

 45 49  0     1  0  0  0  0  0999 V2000
   -2.3481   -0.0431   -1.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921    2.6455   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117    1.9732   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888   -2.5505   -0.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104    0.3444    0.0358 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2097    0.6516   -0.5852 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4832    1.5008    0.4907 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6095    0.6012    1.1041 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5552    1.1417   -1.1443 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8033    0.2982   -1.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182   -0.6102    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0809   -0.3545   -1.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1438   -1.3032    1.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  4 21  1  0  0  0  0
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 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
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 20 22  2  0  0  0  0
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 23 24  2  0  0  0  0
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 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1832👍, 0💬