Molecule FYI-1011992

A

Molecule Summary:

ID: FYI-1011992
Names:
InChIKey: RMMXLHZEVYNSJO-YRNVUSSQSA-N
SMILES: C/C(C)=C\\CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011992 Edit

Molecule Structure InChIKey: RMMXLHZEVYNSJO-YRNVUSSQSA-N

Molecule Structure SMILES String: C/C(C)=C\CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011992
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011992-3D
FYIcenter.com

 50 50  0     1  0  0  0  0  0999 V2000
    1.8924    0.6209    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205   -1.2476   -0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3690   -1.6246    0.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5104    1.2575   -0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -1.8642    1.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426    3.3628    0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   -0.8098   -0.4524 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3201    0.5376    0.2738 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9872   -1.5146   -0.3237 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1029    1.3655   -0.1611 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8674   -0.5757   -0.7716 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9740    2.6457    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -0.4250   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -1.1918   -0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5068   -1.2702    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7686   -2.0990    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4089    1.8218    1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9769   -2.4529   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 30  1  0  0  0  0
  4  8  1  0  0  0  0
  4 31  1  0  0  0  0
  5  9  1  0  0  0  0
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  6 12  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
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 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 42  1  0  0  0  0
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 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END
$$$$

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2024-10-14, 820👍, 0💬