Molecule FYI-1010832

A

Molecule Summary:

ID: FYI-1010832
Names:
InChIKey: ALEFWKBEHYAYBG-UHFFFAOYSA-N
SMILES: COC(=O)c3cc2cc1CCC6(Oc1c(O)c2c(=O)o3)Oc5c(c(=O)c4c(OC)cc(OC)c(O)c4c5=O)C6O

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010832 Edit

Molecule Structure InChIKey: ALEFWKBEHYAYBG-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c3cc2cc1CCC6(Oc1c(O)c2c(=O)o3)Oc5c(c(=O)c4c(OC)cc(OC)c(O)c4c5=O)C6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010832
FYIcenter.com

 40 45  0  0  0  0  0  0  0  0999 V2000
   14.2028    6.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2028    9.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9028   10.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028   11.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028   11.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1028   10.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    9.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1028    8.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    6.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    9.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6334    9.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2028   14.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
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 37 24  1  0  0  0  0
 38  6  1  0  0  0  0
 39  5  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010832-3D
FYIcenter.com

 60 65  0     1  0  0  0  0  0999 V2000
    0.7897   -0.9899    1.4181 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0911   -3.7821    0.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531   -2.1471   -1.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -0.0578   -2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    1.3486    2.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537   -0.7013   -1.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8885    1.1876   -1.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3104    2.8846    1.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6860    3.3242    0.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5439   -2.6563   -0.1659 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-07-25, 1448👍, 0💬