Molecule Editor

Molecule ID: FYI-1000178 Edit

Molecule Structure SMILES String: CNC[C@H](O)c1ccc(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000178
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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
    1.2124    3.5000    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    1.4000    0.0000 O   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
    2.4249    0.0000    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  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000178-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    6.8300    1.9750    1.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330    0.5861    1.3305 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9692    0.4609    1.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -0.9945    1.1260 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0304   -0.9677    1.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740   -1.9971    2.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584   -3.3460    1.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -4.3144    2.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786   -3.9369    4.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -4.8328    5.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   -2.6098    4.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5524   -2.2423    5.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295   -1.6441    3.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    2.0437    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547    2.3777    2.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4710    2.6016    0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104    0.0226    2.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5672    1.0572    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317    0.8913    2.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8084   -1.3471    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123   -0.9770    1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9193   -3.6489    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5486   -5.3439    2.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856   -5.7124    4.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073   -3.0695    6.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761   -0.6262    3.8843 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  6  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$