Molecule FYI-1014780

A

Molecule Summary:

ID: FYI-1014780
Names:
InChIKey: XAIUZBAPSSUZCL-CGAVGJTKSA-N
SMILES: CC(=O)O[C@@H]1[C@@H](O)C(O)C[C@H](CO)[C@H]1O

Received at FYIcenter.com on: 2025-05-23

Molecule ID: FYI-1014780 Edit

Molecule Structure InChIKey: XAIUZBAPSSUZCL-CGAVGJTKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014780
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
  3 13  1  6  0  0  0
  2 14  1  1  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014780-3D
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    1.0236    0.4802    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.6991    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    1.7452    1.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -0.4549    0.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043   -0.4503    0.6242 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2308    0.4457   -0.4640 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6660    0.5265   -0.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956   -0.0782   -1.8707 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5799    0.7182   -2.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3160   -1.5377   -2.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -2.4784   -0.9763 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2844   -2.8085   -1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0996   -3.5125   -2.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -1.9142    0.4300 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5022   -1.9522    0.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355    1.4032    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    0.1685    1.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946   -0.2882    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9392   -0.1115    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    1.4773   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9782   -0.3314    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224    0.0270   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3872    1.0460   -2.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -1.5990   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110   -1.8754   -3.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196   -3.4229   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -3.4393   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -1.9165   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582   -4.3082   -2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -2.5567    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8311   -2.8206    0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  1  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  6  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  1  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1419👍, 0💬