Molecule FYI-1006320

A

Molecule Summary:

ID: FYI-1006320
Names:
InChIKey: QTQAWLPCGQOSGP-JEGRRAKVSA-N
SMILES: COc1c2CC(C)CC(OC)C(O)C(C)/C=C(C)\\C(OC(N)=O)C(OC)/C=C\\C=C(C)/C(=O)Nc(cc1=O)c2=O

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006320 Edit

Molecule Structure InChIKey: QTQAWLPCGQOSGP-JEGRRAKVSA-N

Molecule Structure SMILES String: COc1c2CC(C)CC(OC)C(O)C(C)/C=C(C)\C(OC(N)=O)C(OC)/C=C\C=C(C)/C(=O)Nc(cc1=O)c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006320
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
    8.4739   10.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1708    9.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7864    9.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522    9.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    8.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    7.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    6.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1160    4.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    3.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836    2.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6647    1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0176    1.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6496    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6434    3.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7606    2.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2694    4.2757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6889    5.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2157    7.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5142    8.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1454    8.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8469    8.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4553    9.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187    6.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203    6.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3736   10.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3034   10.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015    2.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007    3.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    4.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    4.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    9.5457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604   10.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   10.7102    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  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 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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  2  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 14  1  0  0  0  0
 30 10  1  0  0  0  0
 31 30  1  0  0  0  0
 32  9  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 36  8  1  0  0  0  0
 37  6  1  0  0  0  0
 38  5  1  0  0  0  0
 39  4  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-12-17, 572👍, 0💬