Molecule FYI-1003516

A

Molecule Summary:

ID: FYI-1003516
Names:
InChIKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](O)CC[C@@H]34

Received at FYIcenter.com on: 2023-06-26

Molecule ID: FYI-1003516 Edit

Molecule Structure InChIKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N

Molecule Structure SMILES String: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](O)CC[C@@H]34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003516
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6737    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695    4.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
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 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 17  6  1  0  0  0  0
 17  2  1  0  0  0  0
 17 18  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  2  1  0  0  0  0
 20 21  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003516-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -5.1688    1.0642    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5925   -0.1426    0.9668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987   -0.7358    0.3563 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7810    0.5499    0.0267 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6213   -0.7773   -0.3126 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2144    0.4455    0.1817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6735    0.4721   -0.4175 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9904    1.7417    0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597    1.7829    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    0.2436    0.7739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0022   -1.8482    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1166   -2.0834    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3266   -0.9044   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -2.1048   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5760   -1.0888    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4700    0.0565    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4481    0.7930   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 23  1  0  0  0  0
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  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
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  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
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 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 36  1  0  0  0  0
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 17 19  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
$$$$

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2023-07-05, 1440👍, 0💬