Molecule FYI-1007388

A

Molecule Summary:

ID: FYI-1007388
Names:
InChIKey: NILMBQZAURDAOB-RIYZIHGNSA-N
SMILES: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\\C)c1c(=O)c2c(O)c3C/C=C(C)/N

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007388 Edit

Molecule Structure InChIKey: NILMBQZAURDAOB-RIYZIHGNSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\C)c1c(=O)c2c(O)c3C/C=C(C)/N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007388
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   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
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 12  9  2  0  0  0  0
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 19 18  1  0  0  0  0
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 21  7  1  0  0  0  0
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 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
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 28 27  1  0  0  0  0
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 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007388-3D
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
    2.4656    1.4965    0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467    0.1773   -0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1881   -0.7493    0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496   -0.3971    1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0287   -1.3503    2.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1437   -0.9314    2.8223 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256   -1.8873    3.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347   -1.4190    3.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0119   -2.2862    4.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1536   -1.8236    5.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7517   -0.6480    4.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8104   -4.3945    5.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4349   -4.1444    4.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1020   -5.6328    4.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   -6.4147    3.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7630   -7.5487    2.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7033   -8.2717    3.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139   -8.2263    1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5624   -3.2265    3.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149   -3.5797    3.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -4.5858    3.4541 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-02-28, 215👍, 0💬