Molecule FYI-1014783

A

Molecule Summary:

ID: FYI-1014783
Names:
InChIKey: KWNHKPXTVKYPLG-MJMZAZKISA-N
SMILES: CC(=O)O[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O

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

Molecule ID: FYI-1014783 Edit

Molecule Structure InChIKey: KWNHKPXTVKYPLG-MJMZAZKISA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014783
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    5.9777    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1901    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    3.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    2.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902    4.2000    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
  6  7  1  1  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014783-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    1.0269    0.0133   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    0.0360   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287   -0.0728   -1.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782    0.2490    1.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    0.2784    1.0605 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0847   -1.0325    1.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572   -1.7796    2.2423 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2423   -3.0795    2.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0782   -1.1077    3.5599 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5101   -1.2390    3.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    0.3691    3.5901 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2391    0.4685    3.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0153    1.0860    2.2788 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4453    1.2379    2.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -0.4033   -0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573    1.0312    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237   -0.6248    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    0.7682    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709   -1.9144    2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0853   -3.0031    2.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6427   -1.6568    4.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9201   -0.6512    3.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1619    0.8650    4.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    0.3534    3.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589    2.0836    2.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7735    0.9081    1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  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 13  1  0  0  0  0
  5 18  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  1  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  1  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1665👍, 0💬