Molecule FYI-1013703

A

Molecule Summary:

ID: FYI-1013703
Names:
InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N
SMILES: O=c2c(O)c(c1cc(O)c(O)c(O)c1)oc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2025-01-22

Molecule ID: FYI-1013703 Edit

Molecule Structure InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(O)c(c1cc(O)c(O)c(O)c1)oc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1013703
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.7000    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    5.6000    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
    8.4870    7.7000    0.0000 C   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
    7.2746    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    3.6374    7.7000    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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013703-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
   -0.5112   -0.8516    0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098    2.6902   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299    1.7027   -0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    2.8249   -0.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210   -3.0446    0.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047   -0.4639   -2.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -0.4021    2.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7837   -0.6789   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5391    0.4822   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    0.3107    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779   -0.7439    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949    0.0535    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    1.5542   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436    1.7195   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9354    0.5310    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -1.9315    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867   -0.0544    1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774   -0.0847   -1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0042   -1.8872    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6654   -0.6583    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504   -0.3303   -1.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7598   -0.2997    1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4418   -0.4378    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -2.8901    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.0512    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -0.0031   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7523   -0.6219    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4491    2.4455   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0228    2.4583   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6693   -2.8284    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3451   -0.6299   -2.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658   -0.2143    2.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450   -1.0814    0.8419 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 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  2  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6 21  1  0  0  0  0
  6 31  1  0  0  0  0
  7 22  1  0  0  0  0
  7 32  1  0  0  0  0
  8 23  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  1  0  0  0  0
 18 21  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 20 27  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1205👍, 0💬