Molecule FYI-1003147

A

Molecule Summary:

ID: FYI-1003147
Names:
InChIKey: PKRYDKCBXWCSAM-FPOVZHCZSA-N
SMILES: C/C(C)=C/Cc2c(O)c1OC(C)(C)[C@@H](O)Cc1cc2[C@@H]4CC(=O)c3c(O)cc(O)cc3O4

Received at FYIcenter.com on: 2023-05-15

Molecule ID: FYI-1003147 Edit

Molecule Structure InChIKey: PKRYDKCBXWCSAM-FPOVZHCZSA-N

Molecule Structure SMILES String: C/C(C)=C/Cc2c(O)c1OC(C)(C)[C@@H](O)Cc1cc2[C@@H]4CC(=O)c3c(O)cc(O)cc3O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003147
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  4  8  1  1  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 15 14  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 10  1  0  0  0  0
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 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27  2  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  1  1  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003147-3D
FYIcenter.com

 60 63  0     1  0  0  0  0  0999 V2000
   -4.6677   -0.0109   -0.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8907    1.2390    2.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666    1.3194   -0.2955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3033   -2.0993   -1.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828   -1.4439    1.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668   -0.1980    1.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3545    3.7767   -1.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3995    1.2008   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7960    1.9890    1.0969 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.1997    1.0737    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4445    2.0443   -1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8337    0.7482    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6124   -1.0554   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.6422    1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8322    1.4233   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-06-12, 1541👍, 0💬