Molecule FYI-1002252

A

Molecule Summary:

ID: FYI-1002252
Names:
InChIKey: AEPWOQFZFIESFV-UHFFFAOYSA-N
SMILES: CC1=CC(=O)C7c5c1c2C(C)=CC(=O)C8c2c6c3c(c(O)cc(C)c3c4c(C)cc(O)c(c4c56)C7O)C8O

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

Molecule ID: FYI-1002252 Edit

Molecule Structure InChIKey: AEPWOQFZFIESFV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CC(=O)C7c5c1c2C(C)=CC(=O)C8c2c6c3c(c(O)cc(C)c3c4c(C)cc(O)c(c4c56)C7O)C8O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002252
FYIcenter.com

 38 45  0  0  0  0  0  0  0  0999 V2000
    8.4870    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   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
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  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 11  1  0  0  0  0
 18 17  1  0  0  0  0
 18  7  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
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 30 16  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
 35 34  1  0  0  0  0
 36 27  1  0  0  0  0
 37 22  1  0  0  0  0
 38 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002252-3D
FYIcenter.com

 62 69  0  0  1  0  0  0  0  0999 V2000
    7.2652   -1.9955   -5.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -1.8927   -5.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4256   -1.4683   -6.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862   -0.7620   -7.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455   -0.3712   -8.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -0.7479   -5.9696 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2637   -1.6424   -4.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -2.0533   -4.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -2.6373   -3.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726   -2.9178   -2.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4592   -4.4351   -2.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4424   -1.9974   -1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1993   -1.9297   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0213   -0.9529    0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224   -3.0859   -0.6755 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8791   -2.9142   -2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5540   -2.9789   -2.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -3.6837   -1.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8127   -4.0632   -0.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -4.8852    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -5.3670    1.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -5.2548   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5461   -4.8419   -1.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780   -5.3417   -2.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3652   -4.0519   -2.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -3.6441   -4.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868   -3.9278   -5.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380   -4.8914   -5.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -3.4034   -6.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7786   -2.7364   -7.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0462   -2.3100   -8.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755   -2.4960   -5.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -2.8345   -4.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163   -2.4088   -3.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -1.8501   -6.3401 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2049   -0.3410   -5.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958   -3.6651    0.1693 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8774   -3.0015    1.4002 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8269   -1.3938   -6.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294   -3.0223   -5.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5148   -1.5652   -4.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164   -1.3277   -7.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    0.3437   -5.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8563   -4.9285   -3.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5209   -4.9783   -1.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164   -4.6373   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5677   -0.9520   -1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319   -3.8962   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626   -5.8793    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -5.8944    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -5.7089   -1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -6.1960   -3.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4463   -4.5234   -2.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -5.8528   -4.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1151   -5.1127   -6.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -4.4743   -4.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   -3.6043   -7.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -2.3393   -8.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919   -2.7727   -6.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    0.0830   -4.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920   -4.6497    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195   -3.4395    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  3  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 59  1  0  0  0  0
 36 60  1  0  0  0  0
 37 38  1  0  0  0  0
 37 61  1  0  0  0  0
 38 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-07, 1236👍, 0💬