Molecule FYI-1003702

A

Molecule Summary:

ID: FYI-1003702
Names:
InChIKey: VNLQNGYIXVTQRR-UHFFFAOYSA-N
SMILES: CC(=O)C3CCC4(O)C2=CC(=O)C1CC(O)C(O)CC1(C)C2CCC34C

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

Molecule ID: FYI-1003702 Edit

Molecule Structure InChIKey: VNLQNGYIXVTQRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C3CCC4(O)C2=CC(=O)C1CC(O)C(O)CC1(C)C2CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003702
FYIcenter.com

 26 29  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
    8.5038    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406    6.3664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 19 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003702-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    0.7718    1.4174   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    0.6784   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -0.4605   -0.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051    1.3422    0.5297 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5223    2.7514    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8866    0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819    1.4489    1.4009 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0704    1.3915    2.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6471    0.8293    1.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619    1.6057    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6544    0.9306   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5747   -0.5720    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7957   -0.7774    1.3445 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.8517    0.3675   -0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8164    3.5382    0.4783 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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 26 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2554👍, 0💬