Molecule FYI-1006939

A

Molecule Summary:

ID: FYI-1006939
Names:
InChIKey: JPUKWEQWGBDDQB-QSOFNFLRSA-N
SMILES: O=c3c(OC1OC(CO)C(O)C(O)C1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006939 Edit

Molecule Structure InChIKey: JPUKWEQWGBDDQB-QSOFNFLRSA-N

Molecule Structure SMILES String: O=c3c(OC1OC(CO)C(O)C(O)C1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006939
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    3.3331    4.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    5.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5327    7.8835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    8.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4833    6.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365    2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8351    8.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376   11.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7590   10.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006939-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
    1.1523    1.8936    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.0082   -1.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1571    2.0928   -0.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    3.5288    1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695   -0.4180   -1.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6317    2.6715   -1.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4995   -0.3334    1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3108    2.9265    0.3873 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0859    0.8610   -1.0442 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9432    2.5738    0.9770 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.1743    3.8200    1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872   -0.2163   -0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4168    0.8328   -1.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535    0.5449   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 20  2  0  0  0  0
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 23 26  2  0  0  0  0
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 25 44  1  0  0  0  0
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 27 31  2  0  0  0  0
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 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2024-01-31, 830👍, 0💬