Molecule FYI-1001235

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Molecule Summary:

ID: FYI-1001235
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)Cc1ccc(O)cc1O

Received at FYIcenter.com on: 2022-04-01

Molecule ID: FYI-1001235 Edit

Molecule Structure SMILES String: OC[C@@H](O)[C@@H](O)[C@H](O)Cc1ccc(O)cc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001235
FYIcenter.com

 17 19  0  0  1  0  0  0  0  0999 V2000
    8.5641    5.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.4115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    3.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    0.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2483    1.4252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8177    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    2.8506    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  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  1  0  0  0
 12 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001235-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 C   0  0  1  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
    0.0000    0.0000    0.0000 C   0  0  2  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 2623👍, 0💬