Molecule FYI-1006119

A

Molecule Summary:

ID: FYI-1006119
Names:
InChIKey: GVAZHTSCTBSDSD-UHFFFAOYSA-N
SMILES: O=c1c(O)coc2cc(O)cc(O)c12.C/C(C)=C/CO.C=C.C=C(C)O

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006119 Edit

Molecule Structure InChIKey: GVAZHTSCTBSDSD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1c(O)coc2cc(O)cc(O)c12.C/C(C)=C/CO.C=C.C=C(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006119
FYIcenter.com

 26 24  0  0  0  0  0  0  0  0999 V2000
    1.5586    2.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    3.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466    3.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    1.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191    4.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760    5.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605    6.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    7.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018    7.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    9.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0724    5.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    5.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8638   10.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9639    9.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5851    9.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    8.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8214    7.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3003    6.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379    4.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9949    6.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2391    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7179    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604    0.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 14  2  1  0  0  0  0
 14  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  2  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006119-3D
FYIcenter.com

 52 50  0  0  0  0  0  0  0  0999 V2000
    2.2513   -0.5198   -1.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8468    0.3728   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918    2.1113   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1371    2.0889   -0.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    3.4194   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029    3.4207   -0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714    1.8992   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    2.0635    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451    0.8267    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1094    0.7970    0.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.4722   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8187   -0.7150   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795   -1.9459   -0.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053    0.3771   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488   -1.1995    1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772   -1.0723    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2424   -1.3529    1.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906   -0.9193   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9036   -0.2098   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -1.0666   -1.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7892   -3.4291    1.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7515    2.0099   -1.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    1.7824    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    1.7759   -2.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3045    4.4118   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$

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2023-12-03, 1335👍, 0💬