Molecule FYI-1014785

A

Molecule Summary:

ID: FYI-1014785
Names:
InChIKey: OIVLYXCVVKTZBH-KEWYIRBNSA-N
SMILES: CC(=O)O[C@@H]1[C@@H](CO)OC(O)[C@@H](O)[C@H]1O

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

Molecule ID: FYI-1014785 Edit

Molecule Structure InChIKey: OIVLYXCVVKTZBH-KEWYIRBNSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014785
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  1  1  0  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  6  0  0  0
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014785-3D
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    1.2055   -0.3908    1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014   -0.4829    1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -1.5126    1.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584    0.7421    0.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    0.7974    0.9318 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1609    0.8009    2.4114 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6469    0.4528    2.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535   -0.8246    2.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    2.0092    3.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1658    3.2322    2.4611 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5695    3.4368    2.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590    3.3143    1.0033 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1150    4.5087    0.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    2.0874    0.2159 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5652    2.1921    0.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -1.3693    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8749   -0.0949    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8568    0.3292    1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1241   -0.0629    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    0.0133    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.4562    3.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183    1.1653    2.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6416   -1.4953    2.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    4.0431    3.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    3.2617    1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632    3.3391    1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251    4.3286    0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120    2.1267   -0.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9016    1.3166   -0.2150 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  6  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 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  1  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  6  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1828👍, 0💬