Molecule Editor

Molecule ID: FYI-1016446 Edit

Molecule Structure InChIKey: WHJYECILXDIKJA-AVNQGEAYSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC2OC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016446
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7248    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  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
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
  8 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016446-3D
FYIcenter.com

 44 45  0     1  0  0  0  0  0999 V2000
    3.9872   -2.3806    0.3577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1244   -1.9455   -0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -1.2688   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799   -1.4051   -0.4870 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2682   -0.6363    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1557    0.7840   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1127   -0.3412    1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218   -1.6523   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774    1.6427    0.1437 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2418    1.9663    1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288    0.8845   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077    2.9794   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599    0.9638    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634    3.5114   -1.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6849    0.1990    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -0.3332   -0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6278    0.0261    1.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0341   -1.0570   -1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7887   -0.6979    1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9918   -1.2394   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699   -1.6750   -1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -1.1954   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766   -0.6049    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    0.7024   -1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    1.3142   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    0.6900    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965   -0.3784    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0890   -0.5856    1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6062   -2.3516   -1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7235   -2.1326   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3373   -0.7679   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.3636    1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    2.7177    2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405    1.0762    2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3006    0.2450   -0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182    3.5656   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990    1.6095    1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    4.4766   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    3.0200   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -0.1964   -1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4834    0.4408    2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1840   -1.4688   -2.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5311   -0.8369    1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0991   -2.2460   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  2  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
$$$$