Molecule FYI-1014865

A

Molecule Summary:

ID: FYI-1014865
Names:
InChIKey: ILLOJQCWUBEHBA-KEWYIRBNSA-N
SMILES: CC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2025-06-01

Molecule ID: FYI-1014865 Edit

Molecule Structure InChIKey: ILLOJQCWUBEHBA-KEWYIRBNSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014865
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    8.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    8.4000    0.0000 C   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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  1  0  0  0
  7  9  1  6  0  0  0
  1 10  1  1  0  0  0
  2 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014865-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
    0.1609    0.9627    0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -2.5886   -0.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -1.7252    0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600    1.0681   -0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270    2.7737    0.3793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    0.2792   -0.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.8734    0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -1.3378    0.1475 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3238   -0.8657   -0.2190 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1325   -0.3182   -0.3021 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5583    0.5764    0.2307 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4065    1.4863   -0.1962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5338   -0.7105    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7593    0.0762    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6030    1.1967   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576   -1.5003    1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050   -0.9682   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471   -0.2240   -1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7048    0.6075    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743    1.6263   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702   -0.7583    1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8179   -1.6835   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7026   -2.4530   -1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775   -2.6333    0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    1.0422   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    2.6550    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5274    1.2352   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2806    2.1426   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6483    1.0230   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1109👍, 0💬