Molecule FYI-1015595

A

Molecule Summary:

ID: FYI-1015595
Names:
InChIKey: UCLGCTLOEZZSLA-UHFFFAOYSA-M
SMILES: COc1c(O)ccc3c1cc(N(=O)=O)c4c(C(=O)[O-])cc2OCOc2c34

Received at FYIcenter.com on: 2025-09-09

Molecule ID: FYI-1015595 Edit

Molecule Structure InChIKey: UCLGCTLOEZZSLA-UHFFFAOYSA-M

Molecule Structure SMILES String: COc1c(O)ccc3c1cc(N(=O)=O)c4c(C(=O)[O-])cc2OCOc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015595
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.0828    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    8.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    9.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    6.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    6.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    4.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828    3.5393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2128    2.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088    4.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    3.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    4.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    3.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321    3.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6306    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8227    1.8836    0.0000 O   0  5  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  4  1  0  0  0  0
  7  6  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  2  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 15  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015595-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.0143    0.4216    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    0.1068   -0.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    0.4975   -1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    1.6325   -1.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281    2.5138   -1.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538    1.9635   -3.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784    1.2113   -3.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060    0.0811   -2.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   -0.3012   -1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976   -1.4788   -0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887   -2.2853   -1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -3.3478   -0.3650 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634   -4.0709    0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0151   -3.2858    0.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647   -1.9516   -2.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -2.7573   -2.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6987   -4.2427   -2.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8655   -4.7393   -2.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -4.8738   -2.5070 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5021   -2.2225   -3.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3153   -0.9478   -4.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -0.2917   -5.1229 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    0.9768   -5.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634    1.0301   -4.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   -0.2167   -3.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2107   -0.6805   -3.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5851   -0.2860    0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4546    0.3323   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979    1.4157    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554    2.7048   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850    2.8280   -3.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    1.5261   -4.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990   -1.7880   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3354   -2.8233   -4.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2852    1.1950   -6.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1689    1.7524   -4.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 255👍, 0💬