Molecule FYI-1016375

A

Molecule Summary:

ID: FYI-1016375
Names:
InChIKey: NFIMXUUPAACHLN-JWXAKIGBSA-N
SMILES: COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@](O)(CO)[C@H]3O

Received at FYIcenter.com on: 2025-12-11

Molecule ID: FYI-1016375 Edit

Molecule Structure InChIKey: NFIMXUUPAACHLN-JWXAKIGBSA-N

Molecule Structure SMILES String: COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@](O)(CO)[C@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016375
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    6.1015    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8889    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   13.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315   13.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9903    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 14  3  1  0  0  0  0
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 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 30  1  0  0  0  0
 34 27  1  0  0  0  0
 34 35  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016375-3D
FYIcenter.com

 67 69  0     1  0  0  0  0  0999 V2000
    2.2617    0.3113   -0.9000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    1.4254    1.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220   -2.8008    0.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9164    3.7533    1.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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