Molecule FYI-1007378

A

Molecule Summary:

ID: FYI-1007378
Names:
InChIKey: WDOPYKHYPKRXRJ-UHFFFAOYSA-N
SMILES: COc3cc2oc1cc(OC)c(C/C=C(C)\\C)c(O)c1c(=O)c2c(C/C=C(C)\\C)c3O

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

Molecule ID: FYI-1007378 Edit

Molecule Structure InChIKey: WDOPYKHYPKRXRJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(OC)c(C/C=C(C)\C)c(O)c1c(=O)c2c(C/C=C(C)\C)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007378
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   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
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23  5  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 24  2  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007378-3D
FYIcenter.com

 59 61  0     0  0  0  0  0  0999 V2000
    0.3878   -2.3217    0.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229    1.7984   -1.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3347   -2.1025   -0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7531    1.5818   -0.9654 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838   -2.8461    0.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4842   -0.2322   -0.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.4206   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663   -0.2223   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    0.0973   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -1.7432    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -1.5566   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    0.4159   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754   -0.1381   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    0.4924   -0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964    1.5068   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -0.7183   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -1.4728   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -2.1822    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -2.5545    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412    0.6136   -0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193   -2.0415    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    2.4599    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8763    1.3086    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247    3.7625    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0557    1.1090    1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    4.6587    1.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    4.4418   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8661   -2.7687   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5280    1.8406    2.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0319    0.0928    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5532   -2.8586    1.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    1.5569   -1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400    1.8209   -1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -3.2222    0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -3.5868    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1959    1.3631   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0745   -0.0549   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550    2.0402    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197    2.0681    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    2.2669   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5107    0.6904    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354    5.0724    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    5.4856    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816    4.1161    2.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    5.4198   -1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298    4.6036   -0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077    3.8984   -1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7141   -2.1938   -2.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9394   -2.9098   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3946   -3.7511   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7748    2.5487    2.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4402    2.4051    2.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7368    1.1334    3.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9760   -0.0574   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8883   -0.8680    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0598    0.4205    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4091   -3.5365    1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718   -3.2226    2.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773   -1.8586    2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 40  1  0  0  0  0
  3 17  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  2  0  0  0  0
  5 21  1  0  0  0  0
  5 31  1  0  0  0  0
  6 16  1  0  0  0  0
  6 41  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 19  2  0  0  0  0
 11 18  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 580👍, 0💬