Molecule FYI-1014108

A

Molecule Summary:

ID: FYI-1014108
Names:
InChIKey: GGWVNPIHQFCDGZ-YNEHKIRRSA-N
SMILES: O=N(=O)c2cccc(CC1=C[C@H](O)[C@@H](O)[C@@H](CO)O1)c2

Received at FYIcenter.com on: 2025-03-03

Molecule ID: FYI-1014108 Edit

Molecule Structure InChIKey: GGWVNPIHQFCDGZ-YNEHKIRRSA-N

Molecule Structure SMILES String: O=N(=O)c2cccc(CC1=C[C@H](O)[C@@H](O)[C@@H](CO)O1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014108
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
 17 16  1  0  0  0  0
 13 18  1  1  0  0  0
 19 15  1  0  0  0  0
 19 11  1  0  0  0  0
 14 20  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014108-3D
FYIcenter.com

 35 36  0  0  1  0  0  0  0  0999 V2000
    9.4023   -2.8975    2.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0007   -2.2455    1.7127 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2511   -1.0423    1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1614   -2.9307    0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650   -4.2866    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0799   -4.9388   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5688   -4.2309   -1.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8114   -2.8537   -1.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1470   -2.0563   -2.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -1.9750   -3.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132   -0.8047   -4.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9572   -0.7090   -5.5649 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3000    0.3189   -6.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8837   -2.0516   -6.3203 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7808   -2.1181   -7.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288   -3.2061   -5.3414 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5580   -3.2407   -4.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582   -4.3263   -3.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1538   -3.1977   -4.2816 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6468   -2.2147   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2318   -4.8471    1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8544   -5.9972    0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9619   -4.7562   -1.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298   -1.0509   -2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635   -2.4946   -2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    0.1326   -3.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9968   -0.3837   -5.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3893    0.0228   -6.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8751   -2.1606   -6.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5787   -1.5989   -7.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9771   -4.1528   -5.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2901   -3.3523   -5.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8001   -2.3267   -4.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233   -4.9543   -3.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8675   -1.1554   -0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  1  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  6  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  6  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

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2025-03-12, 731👍, 0💬