Molecule Editor

Molecule ID: FYI-1016185 Edit

Molecule Structure InChIKey: JYVDOMXXAITGDR-DWHDZERNSA-N

Molecule Structure SMILES String: NC[C@H](O)C1C=C(O)C(O)=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016185
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    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
    1.2124    0.7000    0.0000 C   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
    0.0000    0.0000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  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
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016185-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    0.8825    0.6442   -0.9075 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    0.7126   -0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.6881   -1.1104 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4910   -1.5664   -0.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5198   -0.6694   -1.1619 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1275   -0.1201    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8775   -0.8659    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868   -0.4094    2.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2132   -2.2333    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560   -2.9119    1.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567   -2.8039   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688   -2.0703   -1.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951    1.4671   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -0.1652   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493    1.1239    0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    1.3970   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.0931   -2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -1.2946    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8041    0.0265   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    0.9165    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    0.5028    2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156   -2.2604    2.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1559   -3.8264   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529   -2.7206   -1.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -1.9420   -2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 17  1  6  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
$$$$