Molecule FYI-1007377

A

Molecule Summary:

ID: FYI-1007377
Names:
InChIKey: MPRKLDAFHYIPOZ-CMDGGOBGSA-N
SMILES: COc3cc2oc1cc(O)c(OC)c(/C=C/C(C)(N)O)c1c(=O)c2c(O)c3C/C=C(C)\\C

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

Molecule ID: FYI-1007377 Edit

Molecule Structure InChIKey: MPRKLDAFHYIPOZ-CMDGGOBGSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007377
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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  1  0  0  0  0
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 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
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 21 14  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 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-1007377-3D
FYIcenter.com

 59 61  0  0  1  0  0  0  0  0999 V2000
    2.4285    0.9884   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    0.3674   -0.3706 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.8799    0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633    1.6218    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    2.1046    1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655    2.7569    1.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    3.3594    2.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    4.1043    1.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826    4.7860    2.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6540    5.5289    2.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1940    4.7580    4.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8019    5.4946    5.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2098    5.6765    5.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0497    4.0143    4.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522    4.0642    6.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501    3.9406    7.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3363    3.8160    8.5380 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8018    3.7367    8.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8473    2.6470    9.2201 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6733    4.9362    9.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    3.2826    3.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2185    2.3874    3.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    2.0141    5.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231    1.8901    2.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7467    0.9813    4.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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