Molecule FYI-1006523

A

Molecule Summary:

ID: FYI-1006523
Names:
InChIKey: OGOQRPXZWAKMHN-SOFGYWHQSA-N
SMILES: COc2cccc(C(O)CC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1)c2

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006523 Edit

Molecule Structure InChIKey: OGOQRPXZWAKMHN-SOFGYWHQSA-N

Molecule Structure SMILES String: COc2cccc(C(O)CC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006523
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    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
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1432    6.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4400    6.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1162    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
  9 25  2  0  0  0  0
 11 26  2  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006523-3D
FYIcenter.com

 49 50  0     1  0  0  0  0  0999 V2000
    3.9823    1.0167   -2.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    1.9661   -1.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2215   -2.4343   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726    1.9822    0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8028   -2.4372   -0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8627   -0.5782   -0.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373    1.0329   -0.8007 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6422    0.1577   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369    0.5687   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    0.8481   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671    0.0709   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852   -0.7346   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864    1.4430    0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -1.1635    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    1.0141    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772    0.9153    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324   -0.2891    0.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531    0.3708    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172    0.6300    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5183    1.0628    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076   -0.7127    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9510    1.5626    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5317   -1.1230   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5654   -0.1904    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2750    1.1523    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4553   -2.8060    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6891   -3.3253   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563    2.0750   -0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.7646   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024   -0.1027    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2468   -0.5019   -1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -0.6301    0.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -1.4232   -1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506    2.4612    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6669    1.6957    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548    1.3535   -2.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707   -0.5562    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -0.5773   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3863    2.0249    1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893   -1.4202    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7432    2.6134    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0706    1.8893    0.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512   -3.8478    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910   -2.2117    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3887   -2.7698    1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4386    0.2004    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0890   -4.3250   -0.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1556   -3.3847    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0271   -3.0776   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 36  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  2  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
$$$$

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