Molecule FYI-1007331

A

Molecule Summary:

ID: FYI-1007331
Names:
InChIKey: MLEQDGHNDSIYJG-LCGDSSDGSA-N
SMILES: COc5cc(/C=C\\4C[C@]3(C)[C@H]2CC[C@@]1(C)[C@H]([C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)CC[C@]1(C)C2=CC[C@H]3C(C)(C)C4=O)cc(OC)c5OC

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007331 Edit

Molecule Structure InChIKey: MLEQDGHNDSIYJG-LCGDSSDGSA-N

Molecule Structure SMILES String: COc5cc(/C=C\4C[C@]3(C)[C@H]2CC[C@@]1(C)[C@H]([C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)CC[C@]1(C)C2=CC[C@H]3C(C)(C)C4=O)cc(OC)c5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007331
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1827    3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    5.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5924    5.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250    6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0882    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8523    8.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5612   10.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5840   10.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166   11.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3494    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2861    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4841    4.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0894    3.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779   10.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105   12.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7737   13.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064   14.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696   15.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7022   16.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5758   14.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   16.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3777   16.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   13.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8819   14.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8187   13.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0798   12.5216    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 47  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22 47  1  0  0  0  0
 21 23  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
 25  5  1  0  0  0  0
 25 26  1  1  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
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 32 31  1  0  0  0  0
 33 30  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 33  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 36  2  0  0  0  0
 39 28  1  0  0  0  0
 40  2  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 43 44  1  1  0  0  0
 45 43  1  0  0  0  0
 45 46  1  1  0  0  0
 47 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007331-3D
FYIcenter.com

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