Molecule FYI-1009445

A

Molecule Summary:

ID: FYI-1009445
Names:
InChIKey: NNYQBHMAYHOTPS-UHFFFAOYSA-N
SMILES: O=C2c1cc(O)cc(O)c1C(=O)C3C=C(O)C=C(O)C23

Received at FYIcenter.com on: 2024-05-10

Molecule ID: FYI-1009445 Edit

Molecule Structure InChIKey: NNYQBHMAYHOTPS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1cc(O)cc(O)c1C(=O)C3C=C(O)C=C(O)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009445
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    4.8498    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
    3.6373    3.5000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009445-3D
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    8.5216    4.5093   -1.9521 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0184    3.4300   -1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8780    2.3075   -1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2774    2.4134   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502    1.3563   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4133    1.4078   -0.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4658    0.2022   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0803    0.1005   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5098   -0.9982    0.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846    1.1417   -0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8013    1.0809   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1689    0.0379   -0.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1715    2.4515   -0.4154 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6787    2.4894   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035    3.7444   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819    4.6535    0.7217 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738    4.3282   -1.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146    4.1046   -2.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252    4.6277   -3.5226 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    3.0719   -1.7922 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7433    3.3120   -1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7059    2.2634   -1.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1028   -0.5931    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775   -1.6822    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6645    2.9783    0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    1.7004   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    5.4918    0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    4.9395   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040    5.2493   -3.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5012    2.2985   -2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  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 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  3  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 1130👍, 0💬