Molecule FYI-1002986

A

Molecule Summary:

ID: FYI-1002986
Names:
InChIKey: QFBWOLBPVQLZEH-GASJEMHNSA-M
SMILES: O=S(=O)([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002986 Edit

Molecule Structure InChIKey: QFBWOLBPVQLZEH-GASJEMHNSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002986
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    3.4497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14  6  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002986-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    3.0089    0.1088    0.0511 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    0.9233   -0.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380   -2.4733    0.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -1.6457   -0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5542    1.2080    0.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0538    2.0159    1.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9064   -0.1347    1.4908 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1740   -0.5005   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    1.4867   -0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961   -1.3226   -0.2179 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3291   -0.2925   -0.0494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1460   -0.7418    0.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3793    0.6155   -0.4528 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1809    1.5475   -0.2672 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6551   -0.7948   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499   -1.6563   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449   -0.0738    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -0.6662    1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5553    0.4585   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459    2.4374   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.6879   -1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300   -1.8443   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -2.1833    1.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -1.7241   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6772    2.0677   -0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    2.8802    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$

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2023-05-31, 1530👍, 0💬