Molecule FYI-1006953

A

Molecule Summary:

ID: FYI-1006953
Names:
InChIKey: NYLNHNDMNOPWAZ-ZLEFDVGRSA-N
SMILES: CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006953 Edit

Molecule Structure InChIKey: NYLNHNDMNOPWAZ-ZLEFDVGRSA-N

Molecule Structure SMILES String: CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006953
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006953-3D
FYIcenter.com

 58 59  0     1  0  0  0  0  0999 V2000
    1.2291    1.5074    0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955   -0.6228   -0.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    2.4903    0.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7044    0.3934    1.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079   -1.9530   -0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -2.1582   -1.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309   -2.9657   -1.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4638   -0.5917    1.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-31, 1116👍, 0💬