Molecule FYI-1001796

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Molecule Summary:

ID: FYI-1001796
SMILES: CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C

Received at FYIcenter.com on: 2022-12-12

Molecule ID: FYI-1001796 Edit

Molecule Structure SMILES String: CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001796
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    8.0622    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001796-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
   -3.1589    0.4080    1.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -0.0907    1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    0.6888    1.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.1241    1.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -1.1251    1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4234   -1.7711    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3796   -3.0061    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2244   -1.8795   -1.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6394   -6.8050    1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2535   -5.4367    3.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342   -4.9762    2.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -5.6269   -1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-01-06, 1326👍, 0💬