Molecule Editor

Molecule ID: FYI-1016081 Edit

Molecule Structure InChIKey: FUXSHRMNDWJEPJ-OWZMZMRESA-N

Molecule Structure SMILES String: C/C(=C\C(=O)OC1CCCC1)CC[C@H]3[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016081
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    6.2497    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598    7.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0381    6.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2929    6.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0901    8.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7100    8.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 15  1  0  0  0  0
 22  9  1  0  0  0  0
 22 23  1  6  0  0  0
  6 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016081-3D
FYIcenter.com

 70 72  0  0  1  0  0  0  0  0999 V2000
    0.8199    3.2167    2.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200    3.1582    3.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    3.5553    4.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    4.0682    5.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442    3.8571    5.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189    4.8196    6.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802    5.4254    7.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805    6.7020    6.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    7.4699    8.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    6.8965    9.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635    5.9408    8.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694    2.7407    2.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025    2.0235    3.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946    1.5169    1.9690 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1980    2.6427    1.0886 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9173    3.7601    1.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2865    3.3208    0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1682    2.0203    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    1.0801    0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309   -0.0974    1.3411 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3330   -1.3553    1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352   -1.1054    2.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9293   -1.8545    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4495   -2.5036    2.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502   -2.1056    3.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -0.8792    2.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4997    0.3772    2.5238 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2606    0.9043    3.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059    3.6997    3.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018    2.2054    2.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683    3.7883    1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973    3.5742    5.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942    4.7136    7.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5211    6.4979    6.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442    7.2814    6.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    7.3236    8.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0459    8.5445    7.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    6.3469    9.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9952    7.6789    9.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8195    5.1303    9.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4960    6.4634    8.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811    3.6880    2.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675    2.0933    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    1.1776    3.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0198    2.6830    3.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    0.9794    1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    4.4156    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4478    4.4132    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6694    3.4060    2.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820    3.2948    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887    2.8046   -0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878    1.4778   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    1.6052    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8333    0.7508   -0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7235   -0.4426    0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1147   -0.2313    2.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2175   -1.9635    2.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2568   -0.9705    3.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658   -1.1566   -0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1477   -2.0028   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4473   -2.8119    0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0739   -3.3547    2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8039   -2.8732    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1499   -1.9356    4.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903   -2.9492    3.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0862   -0.6640    3.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9799   -1.1577    2.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7878    0.1205    4.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    1.3264    4.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    1.6617    3.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 13  1  0  0  0  0
 14 46  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 15 18  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 20 55  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  1  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
M  END
$$$$