Molecule FYI-1005401

A

Molecule Summary:

ID: FYI-1005401
Names:
InChIKey: BBCGPHLQZMQEOL-JCBJOBGESA-N
SMILES: COc5cccc6c(=O)c4c(O)c3C[C@@](O)(C(=O)CO)C[C@H](O[C@H]2C[C@H](N1CCC1)[C@H](O)[C@H](C)O2)c3c(O)c4c(=O)c56

Received at FYIcenter.com on: 2023-10-27

Molecule ID: FYI-1005401 Edit

Molecule Structure InChIKey: BBCGPHLQZMQEOL-JCBJOBGESA-N

Molecule Structure SMILES String: COc5cccc6c(=O)c4c(O)c3C[C@@](O)(C(=O)CO)C[C@H](O[C@H]2C[C@H](N1CCC1)[C@H](O)[C@H](C)O2)c3c(O)c4c(=O)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1005401
FYIcenter.com

 42 47  0  0  1  0  0  0  0  0999 V2000
    0.0000    6.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
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 40 39  2  0  0  0  0
 41 30  2  0  0  0  0
 42 11  1  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005401-3D
FYIcenter.com

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M  END
$$$$

✍: FYIcenter.com

2023-11-02, 2048👍, 0💬