Molecule FYI-1003703

A

Molecule Summary:

ID: FYI-1003703
Names:
InChIKey: OGEJBBPFFLOZKJ-UHFFFAOYSA-N
SMILES: CC(=O)C3CCC4C2=CC(=O)C1CC(O)C(O)CC1(C)C2CCC34C

Received at FYIcenter.com on: 2023-07-19

Molecule ID: FYI-1003703 Edit

Molecule Structure InChIKey: OGEJBBPFFLOZKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C3CCC4C2=CC(=O)C1CC(O)C(O)CC1(C)C2CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003703
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.8510    2.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240    2.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6934    2.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6302    3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1343    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1079    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003703-3D
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
    0.8174    0.0992    1.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.6497    0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162    0.4752   -0.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    1.4040    0.9834 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3170    1.6285    2.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686    1.7377    2.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    1.4448    1.2608 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7675    0.7322    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.4805    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7926    0.8460   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    1.3167   -1.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2384   -0.4115    0.3387 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7062   -0.6982    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1394   -1.9172    0.8693 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1691   -1.6111    2.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2039   -3.0958    0.5719 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2943   -3.4568   -0.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -2.7877    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1463   -1.5132    0.2956 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6448   -2.0425   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   -0.8447    1.0980 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5602   -1.5593    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3442   -0.7829    1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408    0.6454    0.5609 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.2760   -0.4072    2.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9408    0.8050    3.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    2.5370    2.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1332    2.7574    2.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    2.4374    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2668   -0.0932    1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4 24  1  0  0  0  0
  4 29  1  0  0  0  0
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  7 24  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 35  1  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2252👍, 0💬