Molecule FYI-1000179

Home > Molecule

A

Molecule Summary:

ID: FYI-1000179
SMILES: CNC[C@H](O)C1=CC(O)=C(O)C=C1

Received at FYIcenter.com on: 2020-10-16

Molecule ID: FYI-1000179 Edit

Molecule Structure SMILES String: CNC[C@H](O)C1=CC(O)=C(O)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000179
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  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  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000179-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    6.7920   -2.3445    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239   -1.2557   -0.3023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718   -1.1877   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266   -0.0504   -1.4620 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1011   -0.0031   -1.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628   -0.1217   -2.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164   -1.3455   -3.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7849   -1.3579   -4.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628   -2.5275   -5.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9811   -0.1649   -5.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4267   -0.1938   -6.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7191    1.0521   -4.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2616    1.0739   -3.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -2.3715    0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689   -3.3140    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624   -2.1979    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8939   -1.3705   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4788   -1.0213    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5877   -2.1499   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383    0.9015   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -0.8139   -1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424   -2.2835   -3.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900   -3.2638   -4.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5172   -1.1454   -7.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586    1.9770   -5.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0434    2.0328   -3.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  4 20  1  1  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-11-11, 2428👍, 0💬