Molecule FYI-1012620

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A

Molecule Summary:

ID: FYI-1012620
Names:
InChIKey: SONNWYBIRXJNDC-VIFPVBQESA-N
SMILES: CNC[C@H](O)c1cccc(O)c1

Received at FYIcenter.com on: 2024-10-01

Molecule ID: FYI-1012620 Edit

Molecule Structure InChIKey: SONNWYBIRXJNDC-VIFPVBQESA-N

Molecule Structure SMILES String: CNC[C@H](O)c1cccc(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012620
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  3  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
  4 12  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012620-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    1.2321   -1.9839   -1.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271    1.5025   -1.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.8243    0.7285 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -1.1635   -0.2287 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3112   -0.0239   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0675   -0.6511    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    0.1969   -0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -1.0201    1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    0.6757   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9731   -0.5414    1.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219    0.3065    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4163    1.8781    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -1.8093    0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288    0.5732   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826   -0.4727   -0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453    0.4841   -1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -1.6796    1.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    0.2571    1.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624   -0.8286    2.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -2.3133   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6169    0.6724    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186    2.5269   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109    1.4682    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    2.5036    1.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4995    1.7357   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1423👍, 0💬