Molecule FYI-1002281

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A

Molecule Summary:

ID: FYI-1002281
Names:
InChIKey: GYGRDHRFWPYKTF-UHFFFAOYSA-N
SMILES: COc2c(O)c(C)cc3c1ccccc1[nH]c23

Received at FYIcenter.com on: 2023-02-21

Molecule ID: FYI-1002281 Edit

Molecule Structure InChIKey: GYGRDHRFWPYKTF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2c(O)c(C)cc3c1ccccc1[nH]c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002281
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 O   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    1.4000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    4.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825    4.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    5.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5359    6.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    5.5693    0.0000 N   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  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002281-3D
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.1942    0.1121   -1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -0.3166    0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -0.2240    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8701   -1.1270    2.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682   -2.0253    1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -1.1568    3.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -2.1199    4.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353   -0.2690    3.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    0.6560    2.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0011    1.6361    2.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0220    2.0376    3.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9206    3.0372    3.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    3.6419    1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7961    3.2718    1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9180    2.2683    1.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463    1.7177    0.7971 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2879    0.6813    1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953   -0.3474   -2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2438   -0.1987   -1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    1.1951   -1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.8537    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -2.6988    4.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -1.5760    5.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722   -2.8256    4.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0414   -0.2912    4.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    1.5656    4.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7179    3.3369    3.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5200    4.4095    1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7100    3.7422    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418    2.0338   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

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2023-03-17, 871👍, 0💬