Molecule Editor

Molecule ID: FYI-1010798 Edit

Molecule Structure InChIKey: VLXJANUFVJNWKB-IDBRTZOQSA-N

Molecule Structure SMILES String: CC[C@@H]3C[C@H]1CC[C@H](O1)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010798
FYIcenter.com

 27 29  0  0  1  0  0  0  0  0999 V2000
    4.6843    4.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    2.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061    1.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0265    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0265    4.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975    5.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554    5.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554    6.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843    7.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    6.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183    8.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    8.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    6.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    7.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    5.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    5.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    3.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0265    7.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3032    2.7185    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  6  0  0  0
  4  3  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
  8  9  1  6  0  0  0
  5  9  1  1  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 16 20  1  6  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  3  1  0  0  0  0
 21 25  1  1  0  0  0
 14 26  1  1  0  0  0
 10 27  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010798-3D
FYIcenter.com

 61 63  0     1  0  0  0  0  0999 V2000
   -2.0379   -0.1910    0.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401    0.0333    0.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    1.8677   -0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902   -2.1614    0.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675    3.6830   -0.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928   -4.0087    0.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    0.8283    0.5940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6533   -1.3196   -0.2584 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8244    1.0017   -0.2545 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1013   -0.9094    1.0698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3432    0.2683    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8719   -0.7473   -0.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973    0.3049   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627   -0.4651    0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    2.1210   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -2.0109   -1.1544 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8855    1.4738   -1.3696 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7524   -2.3312    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    2.6967    0.2236 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3405   -2.8314    0.9460 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9189    2.4893   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7227   -2.8658   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    2.7980    1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -2.9059   -2.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6135    2.1240   -2.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9461   -2.6109    2.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    3.6683    2.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    1.0069    1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826   -2.0004    0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851    1.8412    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -0.8641    2.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0122    1.0250   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843   -0.2446    0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6286   -1.5024   -1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899   -0.2397   -1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8794    1.0010   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979   -0.3931   -1.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603   -1.2872    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9314    0.2139    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6254    1.9270   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971    2.8810    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -1.2668   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.6325   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622   -2.3830   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849   -3.0236    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    3.6974   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270   -3.9074    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039    3.2289    1.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    1.8057    2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -3.4803   -2.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9478   -3.6223   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -2.3133   -2.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992    2.5646   -3.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    2.9243   -2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098    1.3899   -3.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -1.5472    2.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165   -3.0894    2.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -3.0289    3.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0786    4.6597    1.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280    3.2263    2.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    3.8056    3.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  2  0  0  0  0
  6 22  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  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 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 22  1  0  0  0  0
 16 24  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 19 46  1  0  0  0  0
 20 26  1  0  0  0  0
 20 47  1  0  0  0  0
 23 27  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
M  END
$$$$