Molecule FYI-1002423

A

Molecule Summary:

ID: FYI-1002423
Names:
InChIKey: OROGSEYTTFOCAN-UHFFFAOYSA-N
SMILES: COc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C

Received at FYIcenter.com on: 2023-03-16

Molecule ID: FYI-1002423 Edit

Molecule Structure InChIKey: OROGSEYTTFOCAN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002423
FYIcenter.com

 22 26  0  0  0  0  0  0  0  0999 V2000
    6.7509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569    0.7910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521    0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    2.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8306    2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2805    4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    6.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746    6.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    6.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    3.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2993    2.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    0.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 11 10  1  0  0  0  0
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 21 20  2  0  0  0  0
 21  6  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002423-3D
FYIcenter.com

 43 47  0     1  0  0  0  0  0999 V2000
   -1.7043    0.7540   -1.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    3.8555   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6668   -1.3210   -0.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708   -0.5474   -0.4967 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.6320    0.6590   -0.6322 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6928    1.1004    0.3821 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5328   -0.1698    0.7338 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5487    1.6131   -0.9011 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3499    0.1981   -1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665   -0.4721   -0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6645   -1.3115    1.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133   -0.8797   -1.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808   -1.4415    0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9618    2.4978    0.3071 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1105    1.8197    1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4707   -0.3961   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2845   -1.5732   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.4310    1.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -1.3695   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9299   -1.6622   -1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548   -2.5600   -0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9381   -1.3032    0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  2 14  1  0  0  0  0
  2 40  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
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 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2023-04-05, 1528👍, 0💬