Molecule FYI-1016326

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A

Molecule Summary:

ID: FYI-1016326
Names:
InChIKey: IGRLIBJHDBWKNA-RFZPGFLSSA-N
SMILES: O[C@@H]1C=C[C@@H](O)C1

Received at FYIcenter.com on: 2025-12-06

Molecule ID: FYI-1016326 Edit

Molecule Structure InChIKey: IGRLIBJHDBWKNA-RFZPGFLSSA-N

Molecule Structure SMILES String: O[C@@H]1C=C[C@@H](O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016326
FYIcenter.com

  7  7  0  0  1  0  0  0  0  0999 V2000
    4.8205    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016326-3D
FYIcenter.com

 15 15  0     1  0  0  0  0  0999 V2000
    2.1518    0.4939   -0.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    0.3843    0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0401    1.0714    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    0.1957    0.4794 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0553    0.2153   -0.4430 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6702   -1.1854    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5723   -1.1752   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409    1.3378    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622    2.0070   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716    0.3262    1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    0.4505   -1.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -2.0832    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -2.0647   -0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    1.4195   -0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9563   -0.2005   -0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2025-12-09, 592👍, 0💬