Molecule FYI-1014781

A

Molecule Summary:

ID: FYI-1014781
Names:
InChIKey: OIVLYXCVVKTZBH-WJNSWAAISA-N
SMILES: CC(=O)O[C@H]1[C@@H](CO)OC(O)[C@H](O)C1O

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

Molecule ID: FYI-1014781 Edit

Molecule Structure InChIKey: OIVLYXCVVKTZBH-WJNSWAAISA-N

Molecule Structure SMILES String: CC(=O)O[C@H]1[C@@H](CO)OC(O)[C@H](O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014781
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    5.9777    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    4.2000    0.0000 C   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
    4.7653    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    6.3000    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
  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
  2  9  1  1  0  0  0
 10  9  1  0  0  0  0
  4 11  1  0  0  0  0
  3 12  1  1  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-1014781-3D
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    5.6813   -3.2010    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605   -2.0970    0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236   -2.2640    1.6626 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3610   -0.8875    0.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    0.2708    1.1038 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1948    0.5167    2.5477 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7012    0.2754    2.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    0.5612    4.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7865    1.8017    3.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1439    2.9382    2.2685 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5358    3.1803    2.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    2.7979    0.8485 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1300    2.8152    0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0179    1.4804    0.2056 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3401    1.3352   -1.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1236   -4.1390    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -3.2998    0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880   -2.9919   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    0.1180    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878   -0.2049    3.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189    0.8954    2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9631   -0.7684    2.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.4351    4.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    3.7943    2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199    3.1215    1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893    3.6349    0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8366    2.4986    1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0884    1.5088   -0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    1.6896   -0.9185 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
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5  4  1  0  0  0  0
  5 19  1  1  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  1  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  6  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1692👍, 0💬