Molecule FYI-1004239

A

Molecule Summary:

ID: FYI-1004239
Names:
InChIKey: LPMXVESGRSUGHW-UHFFFAOYSA-N
SMILES: CC6OC(OC5CC(O)C4(CO)C3C(O)CC2(C)C(C1=CC(=O)OC1)CCC2(O)C3CCC4(O)C5)C(O)C(O)C6O

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004239 Edit

Molecule Structure InChIKey: LPMXVESGRSUGHW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC6OC(OC5CC(O)C4(CO)C3C(O)CC2(C)C(C1=CC(=O)OC1)CCC2(O)C3CCC4(O)C5)C(O)C(O)C6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004239
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
   13.9267    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9267    5.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1390    6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1390    7.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9267    8.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7144    7.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7144    6.5192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    8.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896    7.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896    6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0773    5.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3513    5.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
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 38 11  1  0  0  0  0
 39  5  1  0  0  0  0
 40  4  1  0  0  0  0
 41  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004239-3D
FYIcenter.com

 85 90  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-09-10, 1063👍, 0💬