Molecule FYI-1000198

A
Molecule Summary:
ID: FYI-1000198
SMILES: (1S,3R,5R,6S,8S,10S,11R,13S,15S,16R,18S,20S,21R,23R,25R,26S,28R,30R,31R,32R,33R,34R,35S,36S,37S,38S,39S,40S,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
Received at FYIcenter.com on: 2020-12-07
Molecule ID: FYI-1000198 Edit
Molecule Structure SMILES String: (1S,3R,5R,6S,8S,10S,11R,13S,15S,16R,18S,20S,21R,23R,25R,26S,28R,30R,31R,32R,33R,34R,35S,36S,37S,38S,39S,40S,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetrac
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1000198
FYIcenter.com

126132  0  0  0  0  0  0  0  0999 V2000
    5.1350    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331    4.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    4.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8681    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9333    2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7993    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4662    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7993   -1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9333   -2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -4.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -4.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2649   -2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3989   -1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3989    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2649    2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2700    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0675    1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858   -0.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8986    0.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2700   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991   -1.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8943   -2.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8681   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312   -1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0751   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1193   -1.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1972    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2051   -0.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    1.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9152    2.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033    1.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8352    1.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0211    1.0514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302    0.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5228   -0.3636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    0.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817   -2.0693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497   -0.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2486   -0.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802   -1.2057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146    0.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858   -0.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7169    1.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2996    0.8193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  1  0  0  0
  3 49  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
  6 53  1  0  0  0  0
 53 55  1  6  0  0  0
 51 56  1  1  0  0  0
 46 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
 41 59  1  0  0  0  0
 59 61  1  6  0  0  0
 57 62  1  1  0  0  0
 43 63  1  6  0  0  0
 63 64  1  0  0  0  0
 38 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 33 67  1  0  0  0  0
 67 69  1  6  0  0  0
 65 70  1  1  0  0  0
 35 71  1  6  0  0  0
 71 72  1  0  0  0  0
 30 73  1  0  0  0  0
 73 74  1  0  0  0  0
 73 75  1  0  0  0  0
 75 76  1  0  0  0  0
 25 75  1  0  0  0  0
 75 77  1  6  0  0  0
 73 78  1  1  0  0  0
 27 79  1  6  0  0  0
 79 80  1  0  0  0  0
 22 81  1  0  0  0  0
 81 82  1  0  0  0  0
 81 83  1  0  0  0  0
 83 84  1  0  0  0  0
 17 83  1  0  0  0  0
 83 85  1  1  0  0  0
 81 86  1  6  0  0  0
 19 87  1  1  0  0  0
 87 88  1  0  0  0  0
 14 89  1  0  0  0  0
 89 90  1  0  0  0  0
 89 91  1  0  0  0  0
 91 92  1  0  0  0  0
  9 91  1  0  0  0  0
 91 93  1  1  0  0  0
 89 94  1  6  0  0  0
 11 95  1  1  0  0  0
 95 96  1  0  0  0  0
  1 97  1  0  0  0  0
  2 98  1  0  0  0  0
  2 99  1  0  0  0  0
 55100  1  0  0  0  0
 56101  1  0  0  0  0
 61102  1  0  0  0  0
 62103  1  0  0  0  0
 63104  1  0  0  0  0
 63105  1  0  0  0  0
 64106  1  0  0  0  0
 69107  1  0  0  0  0
 70108  1  0  0  0  0
 71109  1  0  0  0  0
 71110  1  0  0  0  0
 72111  1  0  0  0  0
 77112  1  0  0  0  0
 78113  1  0  0  0  0
 79114  1  0  0  0  0
 79115  1  0  0  0  0
 80116  1  0  0  0  0
 85117  1  0  0  0  0
 86118  1  0  0  0  0
 87119  1  0  0  0  0
 87120  1  0  0  0  0
 88121  1  0  0  0  0
 93122  1  0  0  0  0
 94123  1  0  0  0  0
 95124  1  0  0  0  0
 95125  1  0  0  0  0
 96126  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2021-02-04, 722👍, 0💬