Molecule FYI-1001670

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Molecule Summary:

ID: FYI-1001670
SMILES: Cc3c(C(=O)O)[nH]c4ccc(O)c(c1c(O)c(O)cc2cc(C(=O)O)[nH]c12)c34

Received at FYIcenter.com on: 2022-10-29

Molecule ID: FYI-1001670 Edit

Molecule Structure SMILES String: Cc3c(C(=O)O)[nH]c4ccc(O)c(c1c(O)c(O)cc2cc(C(=O)O)[nH]c12)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1001670
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    3.9594    0.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7036    0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7036    2.4177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110    3.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479    0.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159   -0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498   -0.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6498    1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9188    2.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3398   -1.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5207   -2.7811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0317   -2.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 22 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001670-3D
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.9516    0.0646    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174   -0.0136    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.1059    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154    2.5336    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283    3.3663    0.4125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337    2.8765   -0.5275 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5287    0.6409   -0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668   -0.7267   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085   -1.5267   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5331   -2.8944   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2506   -3.4323   -0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1691   -4.7974   -0.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580   -2.6469   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955   -3.2709   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -2.7824   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398   -1.7575   -1.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809   -3.3178   -0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9432   -4.4852   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363   -5.1216    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -6.3990    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3874    2.1208   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
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 23 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-19, 1356👍, 0💬