Molecule FYI-1014521

A

Molecule Summary:

ID: FYI-1014521
Names:
InChIKey: OEKPKBBXXDGXNB-GKYMIPFJSA-N
SMILES: CO[C@@H]1[C@H](O)[C@H](C)OC(O)[C@H]1O

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014521 Edit

Molecule Structure InChIKey: OEKPKBBXXDGXNB-GKYMIPFJSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014521
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    4.8497    3.5000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
  5  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  1  0  0  0
 10  9  1  0  0  0  0
  2 11  1  6  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014521-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    1.8178    0.1877   -0.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -0.1469   -0.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294    1.5019   -1.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6482   -2.5069    0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0947   -2.1017   -0.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.1216    0.3079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3680    1.2400    0.0570 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1377   -1.2544   -0.2253 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0635    1.2428    0.6033 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2990   -1.1093    0.2838 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7926    2.5496    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2722    0.5187    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441   -0.2756    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    2.0431    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656   -1.2815   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515    1.0848    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -1.2982    1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717    2.6867   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    2.5382    0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    3.4103    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420    2.4481   -1.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.5017    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -2.2760    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402    0.3980   -0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693    1.5898    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.0728    1.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

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2025-05-12, 833👍, 0💬