Molecule FYI-1001709

Home > Molecule

A

Molecule Summary:

ID: FYI-1001709
SMILES: COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC)CO)CO

Received at FYIcenter.com on: 2022-11-16

Molecule ID: FYI-1001709 Edit

Molecule Structure SMILES String: COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC)CO)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001709
FYIcenter.com

 51 52  0  0  0  0  0  0  0  0999 V2000
    3.4030   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001709-3D
FYIcenter.com

 51 52  0  0  1  0  0  0  0  0999 V2000
    0.9328    0.2733   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233    0.2198   -0.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -0.8088   -0.8320 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5700   -2.2255   -0.5416 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3526   -2.4202    0.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -2.1989    1.7142 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2700   -0.8927    1.3904 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4399   -0.6239   -0.1160 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8894    0.7276   -0.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5300   -0.8544    2.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -3.3803    1.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959   -4.5600    2.2686 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1400   -4.4785    3.7496 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2814   -4.3442    4.6153 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2296   -5.4086    4.5700 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6688   -5.7576    3.1265 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5065   -5.8007    2.1334 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0629   -5.9492    0.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011   -6.9921    3.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -6.5413    5.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841   -6.2933    6.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969   -5.6526    4.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -5.5453    5.4374 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4351   -3.3305   -1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155   -3.1949   -2.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    1.1826   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -0.5778   -0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998    0.3105   -1.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107   -0.6250   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799   -2.3192   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0902   -2.0311    2.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948   -0.0509    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2174   -1.2650   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    1.2999   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -1.6648    1.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7291   -4.7084    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   -3.5638    3.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1377   -5.0563    5.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3615   -4.9779    2.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -6.7142    2.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -5.4867    0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4638   -7.2029    2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6288   -7.2415    7.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863   -5.6045    6.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491   -5.8829    7.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6635   -6.6330    4.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -5.6423    3.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -6.1621    5.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -4.3154   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563   -3.3233   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468   -3.6464   -2.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-03, 1107👍, 0💬