Molecule FYI-1007019

A

Molecule Summary:

ID: FYI-1007019
Names:
InChIKey: LPZCCMIISIBREI-JXMPMKKESA-N
SMILES: C/C=C(CC[C@@H](C)C4CCC3C2=CCC1[C@H](C)[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)\\C(C)C

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007019 Edit

Molecule Structure InChIKey: LPZCCMIISIBREI-JXMPMKKESA-N

Molecule Structure SMILES String: C/C=C(CC[C@@H](C)C4CCC3C2=CCC1[C@H](C)[C@@H](O)CC[C@]1(C)C2CC[C@@]34C)\C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007019
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    6.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6465    6.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9779    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9679    7.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3203    7.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3101    8.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9478    9.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6624    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6826    5.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0349    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3554    8.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6061    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  2  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  6  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 10 23  1  6  0  0  0
  5 24  1  6  0  0  0
  4 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  2 33  1  0  0  0  0
 27 34  1  6  0  0  0
  3 35  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007019-3D
FYIcenter.com

 81 84  0     1  0  0  0  0  0999 V2000
   -7.9418    0.3045    1.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334   -0.8701   -0.5458 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.1222   -1.5852   -0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5233    0.4453    1.2147 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 81  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1447👍, 0💬