Molecule FYI-1002613

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A

Molecule Summary:

ID: FYI-1002613
Names:
InChIKey: GUYIAYBPHXMSTD-UHFFFAOYSA-N
SMILES: CC(N)C3COc2cc1OCOc1cc23

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002613 Edit

Molecule Structure InChIKey: GUYIAYBPHXMSTD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(N)C3COc2cc1OCOc1cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002613
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    3.3669    1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    1.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7337    3.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    4.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0877    0.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002613-3D
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    1.3284   -0.4661    0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3998    0.1355    0.0115 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3812    0.8621    0.8345 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0996   -0.8799   -0.9299 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1262   -1.5587   -1.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -2.9490   -1.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -3.2196   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1855   -4.4797   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774   -4.5538    0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385   -5.6707    1.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668   -5.1104    2.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8122   -3.7386    2.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122   -3.4457    1.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012   -2.1952    0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6649   -2.0950   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    0.3033    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304   -1.2541    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -0.8881    0.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.8869   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868    0.2213    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997    1.5683    1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747   -0.3598   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -1.5320   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455   -1.0730   -1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6152   -5.3474   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3808   -5.7125    2.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0101   -5.1580    3.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2923   -1.3427    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 696👍, 0💬