Molecule FYI-1007494

A

Molecule Summary:

ID: FYI-1007494
Names:
InChIKey: SOFSGVVQKAJTSF-SOBKWKFCSA-N
SMILES: CCc3ccc(O)c(c2ccc(O)c(CC(O)COC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2)c3

Received at FYIcenter.com on: 2024-02-25

Molecule ID: FYI-1007494 Edit

Molecule Structure InChIKey: SOFSGVVQKAJTSF-SOBKWKFCSA-N

Molecule Structure SMILES String: CCc3ccc(O)c(c2ccc(O)c(CC(O)COC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007494
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   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
    9.6995    2.1000    0.0000 O   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    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    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
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   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
   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  0  0  0  0
 23 14  1  0  0  0  0
 23 24  1  6  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007494-3D
FYIcenter.com

 65 67  0  0  1  0  0  0  0  0999 V2000
   11.7842    9.6654   15.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5160    8.2521   15.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1402    8.1380   14.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0552    7.7271   15.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7813    7.6665   15.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5829    8.0207   13.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177    7.9336   13.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6516    8.4648   12.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4920    8.9394   11.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4789    8.6994   10.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3982    9.2666    9.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   10.0440    8.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2994   10.6681    7.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396   10.2238    9.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809   11.0001    9.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4563   10.9497    8.0788 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    9.6145    7.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2104   11.8213    7.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5349   13.1503    8.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   14.0381    8.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095   15.3635    8.8160 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4586   16.0591    8.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389   17.1465    9.7012 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0000   17.6642    9.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171   18.6185   10.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599   18.2092    9.2667 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4758   19.2838   10.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8562   17.5612    9.1154 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8061   18.5051    8.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139   16.2771    8.2466 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0918   15.6425    8.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9294    8.5023   13.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7794    9.7294   16.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0485    9.9671   16.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7371   10.3891   15.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6176    7.5425   16.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9517    7.3437   15.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    7.7078   13.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3478    8.0924   10.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    9.1290    8.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6191   10.0299    7.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538   12.0370    9.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1800   10.6041   10.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956   11.3502    7.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    9.2043    8.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984   11.4350    8.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8636   11.7976    6.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1718   19.0986   10.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  2  0  0  0  0
  4  5  2  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  2  0  0  0  0
 10 11  2  0  0  0  0
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 26 58  1  6  0  0  0
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 33 65  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1365👍, 0💬