Molecule FYI-1001553

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Molecule Summary:

ID: FYI-1001553
SMILES: O=C(C=Cc1ccc(O)cc1O)c2ccc(O)cc2O

Received at FYIcenter.com on: 2022-09-06

Molecule ID: FYI-1001553 Edit

Molecule Structure SMILES String: O=C(C=Cc1ccc(O)cc1O)c2ccc(O)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001553
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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
    8.4871    4.9000    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
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  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 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001553-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.0816    0.1600   -0.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2739    0.0476   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360    1.1146    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    2.0786    1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    3.1559    2.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3527    3.6562    1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    4.6992    2.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528    5.2625    3.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    6.2938    3.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    4.7976    3.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868    3.7511    3.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    3.2948    3.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398   -1.1364   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554   -1.7014   -1.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -2.8079   -2.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942   -3.3528   -1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0894   -4.4306   -2.0712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7788   -2.8205   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966   -1.7180    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4626   -1.2349    1.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145    1.0674    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    2.0786    1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7993    3.2482    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602    5.0561    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624    6.5412    3.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271    5.2622    4.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787    3.7918    4.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -1.2733   -2.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0254   -3.2247   -3.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7015   -4.7172   -2.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029   -3.2786    0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1344   -1.8177    1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  3  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1588👍, 0💬