Molecule FYI-1013255

A

Molecule Summary:

ID: FYI-1013255
Names:
InChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-N
SMILES: OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

Received at FYIcenter.com on: 2024-11-28

Molecule ID: FYI-1013255 Edit

Molecule Structure InChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-N

Molecule Structure SMILES String: OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013255
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    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
  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  1  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  6  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  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013255-3D
FYIcenter.com

 31 31  0     1  0  0  0  0  0999 V2000
    2.7022   -0.7143    0.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    1.9814    1.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    3.1484   -0.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -3.0105   -0.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0033   -0.4130    1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280   -0.4497   -0.7570 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.5210   -1.0183   -0.5522 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3583   -0.2273    0.4769 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4229    1.2617    0.1209 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0344    1.8330   -0.1608 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7383    0.9613   -1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735   -2.5176   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -0.6331    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1496   -0.2020   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0536   -0.9473   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9630   -0.3510    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0932    1.4245   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5212    1.9423    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041    1.4130   -1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2162    1.0033   -2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -3.0754   -0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734   -2.7102    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133   -0.1077    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -1.6891    0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -1.6008    0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    2.9220    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324   -0.7846   -0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2279    0.8613   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    3.4920   -0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -2.9134   -1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8991   -0.1475    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 25  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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