Molecule FYI-1014601

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A

Molecule Summary:

ID: FYI-1014601
Names:
InChIKey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
SMILES: CNC(=O)Oc1cccc2OC(C)(C)Oc12

Received at FYIcenter.com on: 2025-05-02

Molecule ID: FYI-1014601 Edit

Molecule Structure InChIKey: XEGGRYVFLWGFHI-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)Oc1cccc2OC(C)(C)Oc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1014601
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.9581    5.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7457    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    4.1694    0.0000 O   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
    4.8498    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
    8.3151    3.0368    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014601-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
   -0.7851   -1.1905    0.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -0.1218   -0.3779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513    0.2653    0.9400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.0458   -1.2719 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428   -0.7820    0.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661   -1.3682    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    0.1541    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7816    0.7643   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -1.9616    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -2.3128   -1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.8704    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8432    2.1245   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4854    2.2500    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898    2.8735   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247   -0.1820   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144   -1.3375   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9913   -2.1185    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984   -2.9104    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -1.2807    2.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -2.4826   -1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462   -1.8831   -2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351   -3.2748   -0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    2.6013   -0.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    2.8545    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    3.9479   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7166   -0.8355    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056   -2.3984   -0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6401   -0.8235   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5223   -1.2191   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1123👍, 0💬