Molecule FYI-1004317

A

Molecule Summary:

ID: FYI-1004317
Names:
InChIKey: YZHKDCQZRPANFS-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004317 Edit

Molecule Structure InChIKey: YZHKDCQZRPANFS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004317
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
   29.0984    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8237    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
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 36 35  2  0  0  0  0
 36 28  1  0  0  0  0
 37 19  1  0  0  0  0
 38 37  2  0  0  0  0
 38 16  1  0  0  0  0
 39  7  1  0  0  0  0
 40 39  2  0  0  0  0
 40  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004317-3D
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
    2.8263    1.3446   -1.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662    1.2831   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    0.2757   -0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    2.3301    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294    3.6463   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    4.6607    0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918    4.3724    2.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    5.5082    3.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9014    6.6589    2.8775 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    5.1137    4.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032    6.1618    5.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727    6.4714    5.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784    7.5515    6.7928 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9409    7.2127    7.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9790    6.0933    8.4595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568    8.4116    8.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    9.4765    7.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   10.5771    8.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685   10.6317    9.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3076   11.8285   10.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9279   12.1488   11.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2095   12.5092    9.9042 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4413   13.8888   10.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8474   14.1763   10.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210   15.5952   11.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7980   18.7519    9.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8627   20.1253    9.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5784   20.5795   10.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5741   22.0239   11.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8741   22.4763   12.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4416   22.7660   10.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2362   19.6550   11.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1836   18.2839   11.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    9.5641   10.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    8.4527   10.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    3.0551    2.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634    2.0343    1.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    0.4430    0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7401    3.8755   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9086    5.6836    0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    5.7961    6.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0645   11.3983    7.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928   14.2586   10.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854   14.4658    9.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1023    1.0131    2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  2  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 39  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 39 61  1  0  0  0  0
 40 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1639👍, 0💬