Molecule FYI-1014106

A

Molecule Summary:

ID: FYI-1014106
Names:
InChIKey: GGWVNPIHQFCDGZ-AGIUHOORSA-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-1014106 Edit

Molecule Structure InChIKey: GGWVNPIHQFCDGZ-AGIUHOORSA-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-1014106
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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    7.2746    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
   10.9119    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
    3.6373    2.8000    0.0000 O   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
    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
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  1  0  0  0
 18 17  1  0  0  0  0
 13 19  1  6  0  0  0
 14 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014106-3D
FYIcenter.com

 35 36  0  0  1  0  0  0  0  0999 V2000
    7.9581   -1.3836   -2.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194   -1.4716   -1.5212 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7526   -2.4445   -1.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5761   -0.3431   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3447    0.7652   -0.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4854    1.8343   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8470    1.8077    1.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0489    0.7165    1.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2754    0.7306    2.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9877    0.1388    4.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071    0.8602    5.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694    0.3103    6.3751 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7889    0.5458    7.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1454   -1.1754    6.3357 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287   -1.3100    6.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8228   -1.9274    5.0149 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0111   -2.7470    4.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1527   -1.9048    4.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2866   -1.1877    3.9059 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9359   -0.3754    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8324    0.8102   -1.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0845    2.6974   -0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9603    2.6580    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    0.1840    2.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650    1.7649    3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392    1.9127    5.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445    0.9084    6.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.1186    7.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6079   -1.7000    7.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0519   -1.0599    5.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273   -2.6464    5.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2921   -3.5244    5.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7640   -3.2180    3.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105   -2.4987    4.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328   -1.2336    0.9447 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 14  1  0  0  0  0
 12 13  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  1  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  1  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, 1180👍, 0💬