Molecule FYI-1009991

A

Molecule Summary:

ID: FYI-1009991
Names:
InChIKey: QYHQCTLOLWFVPW-CABCVRRESA-N
SMILES: CC(C)CC(=O)c2oc1c(CC[C@](C)(O)[C@@H]1O)c2CO

Received at FYIcenter.com on: 2024-05-24

Molecule ID: FYI-1009991 Edit

Molecule Structure InChIKey: QYHQCTLOLWFVPW-CABCVRRESA-N

Molecule Structure SMILES String: CC(C)CC(=O)c2oc1c(CC[C@](C)(O)[C@@H]1O)c2CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1009991
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
    9.6779    4.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0405    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0405    6.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    4.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492    4.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581    6.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266    6.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 18  1  1  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009991-3D
FYIcenter.com

 42 43  0     1  0  0  0  0  0999 V2000
    0.4205   -0.5765    0.2281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6015   -0.3517    1.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732   -2.2621    1.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    3.6928    0.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1187    1.7257    0.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109   -0.8184   -0.0583 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8776   -1.4242   -0.0735 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4155    0.3887   -1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341    1.5356   -0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915    1.0004   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -0.3280   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703    1.6243   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483   -1.8891   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    0.6251    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780    3.0529   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563    0.6526    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213   -0.6479    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2173   -1.7542   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.2410   -1.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -3.0051    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4839   -3.4009    1.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308   -3.7921   -0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0020   -2.7850    0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    4.6262    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  0  0  0  0
  3  7  1  0  0  0  0
  3 32  1  0  0  0  0
  4 15  1  0  0  0  0
  4 42  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
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  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
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 15 30  1  0  0  0  0
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 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2024-06-03, 142👍, 0💬