Molecule Editor

Molecule ID: FYI-1002982 Edit

Molecule Structure InChIKey: GVDFGBHDNQFTDE-ZHDDOTHNSA-N

Molecule Structure SMILES String: COc3cc2CN1C[C@@H](C(C)C)[C@H](O)CC1c2cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002982
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    9.7512    7.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3263    5.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    4.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    5.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    7.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    7.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    9.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2535    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002982-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    2.1075   -1.0289   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904   -0.3422   -0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    0.4900   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.7629   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.7976   -1.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    4.2799   -1.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    4.5758   -1.3515 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9804    4.8898    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    3.6579    0.9384 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8550    3.8311    2.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$