Molecule FYI-1000988

A

Molecule Summary:

ID: FYI-1000988
SMILES: c12c([o+]c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)cc(cc2O)O

Received at FYIcenter.com on: 2021-09-06

Molecule ID: FYI-1000988 Edit

Molecule Structure SMILES String: c12c([o+]c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)cc(cc2O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000988
FYIcenter.com

 75 79  0  0  1  0  0  0  0  0999 V2000
    7.7331    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6719   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5380   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0622   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0021   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    0.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    3.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -2.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -2.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -0.1008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    2.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 18  1  0  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  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
 29 31  1  0  0  0  0
 21 31  1  0  0  0  0
 29 32  1  6  0  0  0
 32 33  1  0  0  0  0
 27 34  1  1  0  0  0
 25 35  1  6  0  0  0
 23 36  1  1  0  0  0
 14 37  1  1  0  0  0
 12 38  1  6  0  0  0
 10 39  1  1  0  0  0
  4 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 40 45  2  0  0  0  0
 44 46  1  0  0  0  0
 43 47  1  0  0  0  0
 42 48  1  0  0  0  0
  2 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
  1 52  1  0  0  0  0
 52 53  1  0  0  0  0
 50 54  1  0  0  0  0
  6 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 37 64  1  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
 41 67  1  0  0  0  0
 45 68  1  0  0  0  0
 46 69  1  0  0  0  0
 47 70  1  0  0  0  0
 48 71  1  0  0  0  0
 49 72  1  0  0  0  0
 51 73  1  0  0  0  0
 53 74  1  0  0  0  0
 54 75  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000988-3D
FYIcenter.com

 75 79  0  0  1  0  0  0  0  0999 V2000
    5.8769    6.2639    5.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    7.1158    6.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4663    6.7540    8.0328 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.2923    5.5559    8.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    4.5673    7.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359    4.9860    6.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7548    3.2152    7.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1924    2.3980    6.6891 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0573    1.1892    7.0643 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6896    0.7334    5.7332 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6536    0.4545    4.6254 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6238    1.5960    4.5327 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1125    1.9638    5.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5036    1.3275    3.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    0.0262    3.5949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -0.2739    2.4254 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5784   -1.7121    2.5178 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6427   -1.9747    1.3212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5753   -0.8829    1.2023 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2580    0.4941    1.1608 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0790    0.6788    2.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2278    1.6325    1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634    1.6047   -0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504   -1.0617    0.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -3.2695    1.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397   -2.6775    2.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655    0.3085    3.3844 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5285   -0.3988    5.9631 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1058    1.6047    7.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5624    5.4840    9.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9337    4.6165   10.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    4.8690   12.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    5.9392   12.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4604    6.7468   11.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    6.5264   10.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1504    7.8309   12.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7975    6.3050   13.9888 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219    4.1271   13.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6427    8.4431    6.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378    8.8973    5.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1549    8.0402    4.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257    6.7251    4.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5029    5.8393    3.5219 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302   10.1856    4.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0994    4.3203    5.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773    3.0259    6.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4848    0.3892    7.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    1.5181    5.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1690   -0.5053    4.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1201    2.4907    4.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7114    2.0733    3.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9443    1.4416    2.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946   -0.2057    1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193   -1.8331    3.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313   -2.0198    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -0.9457    2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    0.5657    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    1.6008    1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    2.5973    1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510    0.7052   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -1.4536   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.3300    2.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318   -2.9868    1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.1590    2.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7751   -0.7358    5.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7527    0.8683    7.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    3.7958   10.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    7.2456    9.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0528    7.8016   13.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9517    6.0052   14.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169    3.4306   12.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9627    9.0936    7.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    8.4146    3.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987    6.2944    2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252   10.7295    5.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 42  1  0  0  0  0
  2  3  2  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8  7  1  0  0  0  0
  8 46  1  6  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 47  1  1  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 48  1  6  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 49  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 50  1  6  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 15  1  0  0  0  0
 16 53  1  6  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 17 54  1  1  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18 55  1  6  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 56  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 57  1  6  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  2  0  0  0  0
 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 68  1  0  0  0  0
 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 38 71  1  0  0  0  0
 39 40  2  0  0  0  0
 39 72  1  0  0  0  0
 40 41  1  0  0  0  0
 40 44  1  0  0  0  0
 41 42  2  0  0  0  0
 41 73  1  0  0  0  0
 42 43  1  0  0  0  0
 43 74  1  0  0  0  0
 44 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 2468👍, 0💬