Molecule FYI-1003001

A

Molecule Summary:

ID: FYI-1003001
Names:
InChIKey: HDYUJEFZBGAZNY-RMKNXTFCSA-N
SMILES: Cc2c1CCOC(=O)c1cc3c2C(=O)C(C)(C)C3OC5OC(CO)C(OC(=O)/C=C/c4ccc(O)cc4)C(O)C5O

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

Molecule ID: FYI-1003001 Edit

Molecule Structure InChIKey: HDYUJEFZBGAZNY-RMKNXTFCSA-N

Molecule Structure SMILES String: Cc2c1CCOC(=O)c1cc3c2C(=O)C(C)(C)C3OC5OC(CO)C(OC(=O)/C=C/c4ccc(O)cc4)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003001
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   19.0712    2.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1344    4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2608    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6302    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5670    5.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9364    5.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3691    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4323    8.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0628    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1261    8.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6955    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    2.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344    1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   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 10  1  0  0  0  0
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 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 25 20  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 36  1  0  0  0  0
 40 22  1  0  0  0  0
 41 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003001-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
    3.9257   -3.7825   -4.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1942   -4.7257   -0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3286   -3.1140   -1.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -3.9195    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
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 32 65  1  0  0  0  0
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 34 35  1  0  0  0  0
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 40 41  1  0  0  0  0
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 41 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2022👍, 0💬