Molecule FYI-1004635

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A

Molecule Summary:

ID: FYI-1004635
Names:
InChIKey: FKPLZJCSXGKJNK-WDSKDSINSA-N
SMILES: C[C@H](O)[C@H](O)C(C)(C)C

Received at FYIcenter.com on: 2023-09-15

Molecule ID: FYI-1004635 Edit

Molecule Structure InChIKey: FKPLZJCSXGKJNK-WDSKDSINSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004635
FYIcenter.com

  9  8  0  0  1  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004635-3D
FYIcenter.com

 25 24  0     1  0  0  0  0  0999 V2000
    0.2413    1.8878   -0.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5322   -1.5478   -0.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848   -0.1086   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.4916   -0.3400 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4496   -0.1872    0.2994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5227   -1.1854   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190    0.9327   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692   -0.7873    1.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520    0.5042   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556    0.4399   -1.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -0.1516    1.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711   -0.7510   -2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807   -1.9892   -1.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -1.6471   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943    0.4618    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    1.4428   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858    1.6902    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711   -1.1465    1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5105   -1.6600    1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639   -0.0831    2.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863    0.4858   -1.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    1.5432    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.0215    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789    2.3530   -0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915   -1.9483    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  0  0  0  0
  2  5  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

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2023-09-23, 512👍, 0💬