Molecule FYI-1002255

A

Molecule Summary:

ID: FYI-1002255
Names:
InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N
SMILES: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c2c7c3c(C(C)=CC(=O)C3C4O)c5C(C)=CC(=O)C(c5c67)C8O

Received at FYIcenter.com on: 2023-02-12

Molecule ID: FYI-1002255 Edit

Molecule Structure InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c2c7c3c(C(C)=CC(=O)C3C4O)c5C(C)=CC(=O)C(c5c67)C8O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002255
FYIcenter.com

 40 47  0  0  0  0  0  0  0  0999 V2000
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
    8.4871    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   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    4.9000    0.0000 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    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  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 18  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 16  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 37 29  1  0  0  0  0
 38 37  1  0  0  0  0
 39 27  1  0  0  0  0
 40 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002255-3D
FYIcenter.com

 68 75  0  0  1  0  0  0  0  0999 V2000
    3.2220   -6.8184  -13.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477   -7.0287  -13.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359   -7.6323  -12.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581   -9.0044  -11.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5441   -9.6341  -10.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564  -10.9893  -10.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6379   -8.9064   -9.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337   -7.4943   -9.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112   -6.8731  -10.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370   -5.5125  -10.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5076   -4.8885  -11.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366   -5.6887  -12.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8247   -5.3638  -12.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002   -3.4976  -11.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0544   -2.6949  -10.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -1.3382  -11.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675   -3.2731   -9.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032   -4.6986   -9.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495   -5.2926   -8.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0090   -4.4933   -7.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580   -4.9825   -6.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -3.9989   -5.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -4.3607   -4.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607   -2.7102   -5.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1774   -2.1854   -6.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6484   -1.0644   -5.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -3.0500   -7.3763 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0017   -2.4493   -8.6787 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2789   -1.0502   -8.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435   -6.3567   -6.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -6.9926   -5.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434   -6.7469   -5.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729   -8.1736   -4.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9143   -9.1421   -5.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465  -10.2974   -5.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890   -8.6349   -7.1757 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4062   -7.2086   -7.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911   -6.6859   -8.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488   -9.5981   -8.2013 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4584  -10.6432   -8.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -6.1920  -14.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -6.2933  -13.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -7.7557  -14.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0687   -6.0369  -13.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   -7.6489  -14.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297   -9.5666  -12.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4911  -11.3618  -11.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9675   -5.4886  -13.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2466   -6.7617  -12.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0165   -4.3118  -13.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348   -5.9647  -13.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580   -5.5943  -11.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0913   -3.0317  -12.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4094   -1.1102  -12.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -3.5263   -3.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075   -5.1850   -3.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9599   -4.5891   -4.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9054   -1.9739   -4.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6202   -3.0884   -7.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -2.5271   -8.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160   -0.8632   -9.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -7.6595   -6.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185   -5.9815   -6.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881   -6.4425   -4.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -8.6761   -4.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -8.5636   -7.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923  -10.0577   -7.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107  -11.1052   -9.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  2  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 37  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 36 66  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-07, 3008👍, 0💬