Molecule FYI-1013561

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A

Molecule Summary:

ID: FYI-1013561
Names:
InChIKey: ZGHAQHIRHAOSSM-KTGGKTQHSA-N
SMILES: C1C[C@H]2CC(N1)[C@@H]3OC[C@H]2O3

Received at FYIcenter.com on: 2025-01-09

Molecule ID: FYI-1013561 Edit

Molecule Structure InChIKey: ZGHAQHIRHAOSSM-KTGGKTQHSA-N

Molecule Structure SMILES String: C1C[C@H]2CC(N1)[C@@H]3OC[C@H]2O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013561
FYIcenter.com

 11 13  0  0  1  0  0  0  0  0999 V2000
    2.2216    5.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676    4.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    2.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006    3.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    3.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    4.9193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9457    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    2.0458    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  6  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  5  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  6  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013561-3D
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    0.5458   -0.8386   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652   -0.5032   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    0.5436    0.5888 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5545    0.5661    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    1.1681    0.0775 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4637    0.3067   -1.1463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8509    2.5766   -0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4622    3.2973    0.8997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    3.0944    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2532    1.9533    0.0358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3603    2.3186   -1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -1.6106   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4615   -1.2916   -2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -0.1793   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -1.4341   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861    0.2578    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932    1.1667    2.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8887   -0.4342    1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636    1.2866    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399    0.8894   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418    3.1716   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397    4.0216    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    2.8931    2.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2868    1.9591   -0.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  1  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  6  0  0  0
M  END
$$$$

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2025-02-16, 429👍, 0💬