Molecule FYI-1006508

A

Molecule Summary:

ID: FYI-1006508
Names:
InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M
SMILES: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Received at FYIcenter.com on: 2023-12-29

Molecule ID: FYI-1006508 Edit

Molecule Structure InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M

Molecule Structure SMILES String: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006508
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
   11.9977    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5743    8.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128    6.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    5.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055    7.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761    4.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173    6.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0743    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9380    4.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6898    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8278    2.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3522    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6005    2.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372    4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8160    5.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1688    5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5005    7.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  8  9  1  6  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
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 17  5  1  0  0  0  0
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 22 21  1  0  0  0  0
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 24 18  1  0  0  0  0
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 26 25  1  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006508-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    1.0420    0.0923   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -0.1176   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    0.3093   -1.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289    0.5458    1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    1.8954    1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782    3.0465    0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994    4.0557    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809    5.1271   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105    6.2135    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    5.1026   -1.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    6.2284   -2.7446 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1339    6.6355   -2.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8407    7.0816   -2.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    6.2128   -3.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466    7.7202   -1.3257 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4237    5.1121    4.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474    5.0170    6.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    5.9335    6.9794 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2257    3.0012    5.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4832   -0.3230    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803   -1.2012    0.0471 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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  6  7  1  0  0  0  0
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 29 58  1  0  0  0  0
M  END
$$$$

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2024-01-10, 2002👍, 0💬