Molecule FYI-1007386

A

Molecule Summary:

ID: FYI-1007386
Names:
InChIKey: FMURTJFIULQDHR-VCHYOVAHSA-N
SMILES: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\\C)c1c(=O)c2c(O)c3C/C=C(C)/CC(C)C

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007386 Edit

Molecule Structure InChIKey: FMURTJFIULQDHR-VCHYOVAHSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\C)c1c(=O)c2c(O)c3C/C=C(C)/CC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007386
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.8000    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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  2  0  0  0  0
  5  4  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
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
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 27  3  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007386-3D
FYIcenter.com

 71 73  0  0  0  0  0  0  0  0999 V2000
    2.3384   -1.2062    1.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -0.2371    0.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589   -0.7241   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770   -1.6847   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185   -2.2387   -2.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6939   -3.1878   -1.8653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481   -3.6377   -2.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4518   -4.4402   -2.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2061   -1.3630   -8.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -1.7496   -9.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568    0.0008   -8.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9495   -3.3650   -4.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7217   -2.5627   -4.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 71  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1994👍, 0💬