Molecule FYI-1014830

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A

Molecule Summary:

ID: FYI-1014830
Names:
InChIKey: HWNGLKPRXKKTPK-JJYYJPOSSA-N
SMILES: O=C(O)[C@@H]1NC[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014830 Edit

Molecule Structure InChIKey: HWNGLKPRXKKTPK-JJYYJPOSSA-N

Molecule Structure SMILES String: O=C(O)[C@@H]1NC[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014830
FYIcenter.com

 10 10  0  0  1  0  0  0  0  0999 V2000
    3.7038    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    3.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6835    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
  5  1  1  0  0  0  0
  5  6  1  6  0  0  0
  1  7  1  1  0  0  0
  2  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014830-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
    0.0552   -1.1033   -1.4992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6587   -0.5781    0.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884   -1.0908    0.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4666    0.8862   -0.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    1.4279   -0.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -0.8720   -0.1733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3330    0.1760    0.5232 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8926   -0.2037   -0.2304 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6059    1.2974   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    0.0605    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -1.8242    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612    0.1885    1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -0.4657   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948    1.7681    0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    1.8063   -1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056    2.2258    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735   -1.6078   -1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.3605    1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2506   -1.1854    0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1260👍, 0💬