Molecule FYI-1000342

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Molecule Summary:

ID: FYI-1000342
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000342 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000342
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    2.3870    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214    3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557    1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305    1.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    3.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3275    5.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    6.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6428    6.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4826    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9169    6.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    7.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    8.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970    9.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626    9.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454    8.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    7.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380    7.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    5.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  1  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 19 24  1  1  0  0  0
 15 25  1  1  0  0  0
 13 26  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-07-26, 192👍, 0💬