Molecule FYI-1005320

A

Molecule Summary:

ID: FYI-1005320
Names:
InChIKey: MMXOKEKRFUGLRD-OIFNWQJISA-N
SMILES: CC/C3=C\\CC2CC(CC1(C=CC(C)C(C(C)CC)O1)O2)OC(=O)C6=CC(C)C(O)C7OC/C(=C/C=C/C(C)C3OC5CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O5)C67O

Received at FYIcenter.com on: 2023-10-24

Molecule ID: FYI-1005320 Edit

Molecule Structure InChIKey: MMXOKEKRFUGLRD-OIFNWQJISA-N

Molecule Structure SMILES String: CC/C3=C\CC2CC(CC1(C=CC(C)C(C(C)CC)O1)O2)OC(=O)C6=CC(C)C(O)C7OC/C(=C/C=C/C(C)C3OC5CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O5)C67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005320
FYIcenter.com

 63 69  0  0  0  0  0  0  0  0999 V2000
    0.0000   12.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   13.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669   13.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432   12.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   14.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6858   15.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811   16.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527   16.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290   15.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337   14.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3243   16.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1530   15.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3799   12.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3920   14.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0513   13.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7163   16.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0569   16.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0011   14.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5247   15.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4949   12.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0112    8.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2680    8.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7444    7.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8491    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3254    4.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6970    4.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5923    5.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1160    7.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9639    5.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1733    3.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5449    3.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0214    1.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3930    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2883    2.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8118    3.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4402    4.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7071    4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6599    2.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2409    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5821   12.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   15.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7028   13.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
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 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
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 32 31  1  0  0  0  0
 32 27  1  0  0  0  0
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 36 35  2  0  0  0  0
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 60 59  1  0  0  0  0
 61 18  1  0  0  0  0
 62  6  1  0  0  0  0
 61 63  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-02, 1241👍, 0💬