Molecule FYI-1002087

A

Molecule Summary:

ID: FYI-1002087
Names:
InChIKey: OFPJQOYOGGSWNY-UHFFFAOYSA-N
SMILES: CC3CC(OC1OC(CO)C(O)C(O)C1O)Cc2cc(O)cc(O)c23

Received at FYIcenter.com on: 2023-01-26

Molecule ID: FYI-1002087 Edit

Molecule Structure InChIKey: OFPJQOYOGGSWNY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3CC(OC1OC(CO)C(O)C(O)C1O)Cc2cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002087
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002087-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    1.4260    0.4672   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442    0.3822    0.1813 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4480   -1.0591    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163   -1.8456    1.3448 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0913   -3.2794    1.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -3.8254    0.0587 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9916   -3.5988    0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -4.4882    0.9631 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2180   -4.1160    0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -4.1296   -0.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041   -5.9527    0.5578 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.7921   -5.3021   -0.2107 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2044   -5.5099   -0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0149    0.9618    3.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391    2.3624    3.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910    3.0622    4.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 49  1  0  0  0  0
M  END
$$$$

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2023-02-19, 1819👍, 0💬