Molecule FYI-1013637

A

Molecule Summary:

ID: FYI-1013637
Names:
InChIKey: AYQZYVVCCNRUAU-SDNLWJFQSA-N
SMILES: C[C@]26CCC4c1c5cc(O)cc1[C@@]3(CC[C@@]2(C3)C4CC5)[C@@H]6O

Received at FYIcenter.com on: 2025-01-19

Molecule ID: FYI-1013637 Edit

Molecule Structure InChIKey: AYQZYVVCCNRUAU-SDNLWJFQSA-N

Molecule Structure SMILES String: C[C@]26CCC4c1c5cc(O)cc1[C@@]3(CC[C@@]2(C3)C4CC5)[C@@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013637
FYIcenter.com

 22 27  0  0  1  0  0  0  0  0999 V2000
    5.6055    5.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285    4.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985    5.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2623    6.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2562    5.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    3.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932    3.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    1.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    2.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    2.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5223    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8695    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    4.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    4.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7175    4.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  6  1  0  0  0  0
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 20 19  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 21  2  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013637-3D
FYIcenter.com

 46 51  0     1  0  0  0  0  0999 V2000
   -2.3293   -2.3814    0.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641   -1.8862    0.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4073    0.5575   -0.9596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2974    0.0225    0.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4756   -1.4551   -0.3143 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1639   -0.2866   -1.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6747    1.9026   -0.5210 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5192   -1.2202    0.8010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0210   -0.2319   -2.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4737   -1.7576   -1.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0611    1.6037    0.9063 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3881    1.0270    1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8556   -0.9245    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2114    1.0706    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -1.7297    0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$

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2025-02-16, 603👍, 0💬