Molecule FYI-1009859

A

Molecule Summary:

ID: FYI-1009859
Names:
InChIKey: TVHZPQAYPSOHQT-UHFFFAOYSA-N
SMILES: CC(C)C5(O)CC3(O)C1(C)CC4(O)OC2(C(O)C(C)CCC12O)C3(O)C45C

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009859 Edit

Molecule Structure InChIKey: TVHZPQAYPSOHQT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C5(O)CC3(O)C1(C)CC4(O)OC2(C(O)C(C)CCC12O)C3(O)C45C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009859
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
    6.2697    6.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    6.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    7.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075    7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291    5.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    6.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5521    3.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    2.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153    1.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9781    1.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6319    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24  9  1  0  0  0  0
 25  8  1  0  0  0  0
 26  6  1  0  0  0  0
 27  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009859-3D
FYIcenter.com

 59 63  0  0  1  0  0  0  0  0999 V2000
    1.7615   -0.4466   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254    0.2311   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221    0.9390    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -0.7845    0.9721 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.3444   -1.0981    4.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2161   -2.9820    1.7629 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3437   -4.4786    3.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-29, 1204👍, 0💬