Molecule FYI-1014522

A

Molecule Summary:

ID: FYI-1014522
Names:
InChIKey: NMINAMGYHRLMPT-IYWGXSQHSA-N
SMILES: CC(=O)O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014522 Edit

Molecule Structure InChIKey: NMINAMGYHRLMPT-IYWGXSQHSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014522
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    1.2124    3.5000    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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
  3 13  1  6  0  0  0
  2 14  1  1  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014522-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
    2.0359    0.7776   -0.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -0.7697   -0.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -2.2555    0.6811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851    2.0886   -0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    2.2192    1.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2765   -0.6170    0.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0929    0.2988    1.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.1671    0.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5581   -1.1226   -0.1629 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8946   -0.4392    0.1568 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3632    1.1644   -0.6511 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0127    1.7343   -0.3027 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0886   -1.3202   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -0.4457    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1015   -1.1460   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515   -0.0111    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -1.4814   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -0.2029    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297    1.0017   -1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    2.6007   -0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1035   -1.5393   -1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742   -2.2595    0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105   -1.9535    1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999    2.9230   -0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506    2.9244    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226   -1.1935   -0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1631   -0.8276   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0383   -0.8840   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9627   -2.2281   -0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  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 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2025-05-12, 383👍, 0💬