Molecule FYI-1003474

A

Molecule Summary:

ID: FYI-1003474
Names:
InChIKey: XOFYZVNMUHMLCC-UHFFFAOYSA-N
SMILES: CC14C=CC(=O)C=C1CCC3C2CCC(O)(C(=O)CO)C2(C)CC(=O)C34

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003474 Edit

Molecule Structure InChIKey: XOFYZVNMUHMLCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC14C=CC(=O)C=C1CCC3C2CCC(O)(C(=O)CO)C2(C)CC(=O)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003474
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
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 25  6  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003474-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
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    2.8959   -1.3014   -2.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090   -0.0551   -3.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3315   -0.0764   -4.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0003   -2.1959   -3.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-07-08, 1444👍, 0💬