Molecule FYI-1007580

A

Molecule Summary:

ID: FYI-1007580
Names:
InChIKey: BFNDWBVORMUOIA-ZWKOTPCHSA-N
SMILES: COc2cc(CC[C@@H](O)C[C@@H](O)CCc1ccc(O)cc1)ccc2O

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007580 Edit

Molecule Structure InChIKey: BFNDWBVORMUOIA-ZWKOTPCHSA-N

Molecule Structure SMILES String: COc2cc(CC[C@@H](O)C[C@@H](O)CCc1ccc(O)cc1)ccc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007580
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007580-3D
FYIcenter.com

 51 52  0     1  0  0  0  0  0999 V2000
    2.1514   -2.5992   -1.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -4.6850   -0.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    2.4610   -1.9806 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    4.0640    0.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9975    2.8618    0.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019   -3.4705    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585   -2.3418   -0.0839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5081   -3.6078   -0.5971 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8375   -2.2251    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467   -2.3239   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517   -1.1336    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037   -1.8355    0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7282   -0.5831    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303    0.7268   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2336    1.0546    1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1802    2.0071   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837    2.3349    1.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568    2.8112    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

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2024-03-17, 204👍, 0💬