Molecule FYI-1005751

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Molecule Summary:

ID: FYI-1005751
Names:
InChIKey: MEGPURSNXMUDAE-UHFFFAOYSA-N
SMILES: CN1C2CC3CC1C(C2O)O3

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005751 Edit

Molecule Structure InChIKey: MEGPURSNXMUDAE-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C2CC3CC1C(C2O)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005751
FYIcenter.com

 24 26  0     1  0  0  0  0  0999 V2000
    3.3021   -1.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3718   -0.4228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117    0.8372    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8027   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6117   -0.7016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1117    0.8372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3080   -1.6454    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4207   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9265   -0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    0.2499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -1.0667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    1.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9436   -2.1470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5177   -0.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -0.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -0.9532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765   -1.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450   -0.8815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0255    2.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0224    1.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8326   -0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005751-3D
FYIcenter.com

 24 26  0     1  0  0  0  0  0999 V2000
   -0.9613   -1.6707   -0.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235   -0.7102   -0.2134 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    1.1829   -0.2535 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2715    0.3750   -1.1529 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1770   -1.0753   -0.7952 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6816    0.3692    0.9682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6459   -0.5477    0.4739 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2196   -0.9054    0.3091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7385    0.3654   -0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226    0.0563    1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1686    2.5605   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081    0.6365   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001   -1.6802   -1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804    0.7956    1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169   -0.8602    0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432   -1.7457    1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1700    1.3445   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397   -0.1027   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6004   -0.6751    2.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782    0.9563    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755    3.0787   -1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415    3.0894    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730    2.6773    0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584   -1.5110   -0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 321👍, 0💬