Molecule FYI-1016325

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A

Molecule Summary:

ID: FYI-1016325
Names:
InChIKey: VOLMSPGWNYJHQQ-UHFFFAOYSA-N
SMILES: CC1=C(O)C(=O)C(O)CO1

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

Molecule ID: FYI-1016325 Edit

Molecule Structure InChIKey: VOLMSPGWNYJHQQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=C(O)C(=O)C(O)CO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016325
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016325-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
    0.7174   -1.6460    0.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608   -0.5487   -0.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    1.9994   -0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    1.8217   -0.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.5519    0.3683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6378   -1.6204   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7639    0.7759    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631   -0.4193    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232    0.7688   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -0.5794    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.7176    1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753   -2.6070   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.4790   -1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -1.1601   -0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696   -1.1071    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765    0.3827    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510    0.1043    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    2.6759   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2025-12-09, 901👍, 0💬