Molecule FYI-1002676

A

Molecule Summary:

ID: FYI-1002676
Names:
InChIKey: LRMHPGVONLYGQD-MUBJRCALSA-N
SMILES: Cc4cc(O)cc5C[C@@H]3[C@@](C)(CCC2C1(C)CCC(O)[C@](C)(C)[C@@H]1CC[C@@]23C)Oc45

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002676 Edit

Molecule Structure InChIKey: LRMHPGVONLYGQD-MUBJRCALSA-N

Molecule Structure SMILES String: Cc4cc(O)cc5C[C@@H]3[C@@](C)(CCC2C1(C)CCC(O)[C@](C)(C)[C@@H]1CC[C@@]23C)Oc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002676
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  6  0  0  0
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  9  7  1  0  0  0  0
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 11 10  1  6  0  0  0
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 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  6  1  0  0  0  0
 24 25  1  1  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 27  4  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002676-3D
FYIcenter.com

 70 74  0     1  0  0  0  0  0999 V2000
    2.9833    1.5174    0.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5627   -1.2321    1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2711   -3.4697   -0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218    0.9335    0.2546 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-25, 1246👍, 0💬