Molecule FYI-1005131

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A

Molecule Summary:

ID: FYI-1005131
Names:
InChIKey: QMFXQLJYFCBVFD-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005131 Edit

Molecule Structure InChIKey: QMFXQLJYFCBVFD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005131
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6994    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 C   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
    2.4249    6.3000    0.0000 O   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
    0.0000    4.9000    0.0000 O   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
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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  1  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  1  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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 13 12  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005131-3D
FYIcenter.com

 58 58  0     0  0  0  0  0  0999 V2000
    2.3358   -0.9521   -1.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401    0.0078    2.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224   -2.8420   -1.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -1.8868    2.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    4.1322    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631    3.2519    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    3.7574   -0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014    3.3280   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853    2.3253   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    2.5051   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298    2.0177    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056    1.0173   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513    0.5752    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1783    0.1745   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530   -0.4577    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8993   -1.3047    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961   -1.1773   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953   -0.6927    1.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1907   -2.0984    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6812   -2.1321   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804   -1.6473    1.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232   -2.3668    0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4961   -1.7361   -2.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4044    2.1740   -1.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9468    1.6273   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8042    2.6200   -1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869    2.7015    0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460    2.2058    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4408   -4.5978   -0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3 20  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 55  1  0  0  0  0
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  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
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 24 58  1  0  0  0  0
M  END
$$$$

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2023-10-27, 2403👍, 0💬