Molecule FYI-1011911

A

Molecule Summary:

ID: FYI-1011911
Names:
InChIKey: IQBMWEYFKNVACH-YJAOKHJISA-N
SMILES: O=c5c(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(c4ccc(O)c(O)c4)oc6cc(O)cc(O)c56

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011911 Edit

Molecule Structure InChIKey: IQBMWEYFKNVACH-YJAOKHJISA-N

Molecule Structure SMILES String: O=c5c(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(c4ccc(O)c(O)c4)oc6cc(O)cc(O)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1011911
FYIcenter.com

 55 60  0  0  1  0  0  0  0  0999 V2000
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 24 29  1  1  0  0  0
 23 30  1  6  0  0  0
 31 22  1  0  0  0  0
 32 31  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 32  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 35 40  1  6  0  0  0
 34 41  1  6  0  0  0
 42 33  1  0  0  0  0
 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 46 51  1  1  0  0  0
 45 52  1  6  0  0  0
 53 44  1  0  0  0  0
 54  4  1  0  0  0  0
 55  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011911-3D
FYIcenter.com

 95100  0  0  1  0  0  0  0  0999 V2000
   -2.3396    1.6844   -0.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794    1.4362    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0162    0.5740    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603   -0.0639    0.6589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0042   -1.0501    0.7811 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8077   -2.0652    1.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7689   -3.1400    1.6471 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.6966   -4.0021    2.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2839   -3.2656    3.9851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4508   -3.9611    0.4130 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2520   -5.1479    0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6784   -3.1064   -0.8227 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1168   -3.7711   -1.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2144   -1.6349   -0.6707 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9993   -1.5159   -1.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687   -0.3939   -2.2829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1309   -0.3719   -3.1158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1517    0.7064   -4.0641 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.5213    0.6470   -4.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5852    1.0910   -3.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9702    0.4623   -5.0078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1196   -0.8138   -5.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6324    0.4417   -4.2338 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5793    0.0971   -5.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246   -0.5301   -3.0432 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3832   -1.9275   -3.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177   -2.4082   -3.5223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9509   -3.8185   -3.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3411   -4.4333   -3.3755 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3302   -5.9448   -3.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -6.5159   -3.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -3.7091   -2.6255 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7723   -4.2122   -2.9975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -2.2158   -2.9618 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3878   -1.4861   -2.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -1.6467   -2.6928 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2038   -1.7664   -1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7905    0.6046    2.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080   -0.0436    3.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442    0.3406    4.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7072   -0.2408    5.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1277   -1.2260    5.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8981   -1.9657    6.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941   -1.5803    5.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589   -2.5737    6.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -0.9709    4.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618    1.3353    3.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    1.9531    2.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532    2.5466    3.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729    3.1739    2.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331    3.7606    3.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    3.2334    1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    2.6460    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113    2.6968   -0.9032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    2.0057    1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9148   -0.5047    1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7817   -2.7139    1.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581   -4.2236    3.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2566   -4.9355    2.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9292   -2.3670    3.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4065   -4.3018    0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1532   -4.9036    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7528   -3.0941   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8763   -4.6827   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0021   -1.0246   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9925    0.5344   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0639    1.6740   -3.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7663   -0.3850   -5.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5487    1.2620   -5.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4523    2.0336   -3.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.2203   -5.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2513   -1.4700   -4.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4351    1.4546   -3.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533   -0.6440   -5.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -0.2347   -2.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7701   -2.3732   -4.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -4.3804   -4.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -6.4955   -3.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -6.1098   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538   -7.4854   -3.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -3.8540   -1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -5.1907   -2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -2.0708   -4.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944   -1.4240   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564   -0.5790   -2.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231   -2.5159   -1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    1.0985    3.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7458    0.0460    5.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4650   -2.5205    6.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964   -2.8858    6.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745   -1.2368    4.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2704    2.5030    4.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    3.6091    4.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    3.7293    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    3.0699   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 56  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 60  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 61  1  1  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 63  1  6  0  0  0
 13 64  1  0  0  0  0
 14 15  1  0  0  0  0
 14 65  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 66  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 71  1  6  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 73  1  1  0  0  0
 24 74  1  0  0  0  0
 25 26  1  0  0  0  0
 25 75  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 27 76  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 81  1  1  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 83  1  6  0  0  0
 35 84  1  0  0  0  0
 36 37  1  0  0  0  0
 36 85  1  0  0  0  0
 37 86  1  0  0  0  0
 38 39  1  0  0  0  0
 38 47  1  0  0  0  0
 39 40  1  0  0  0  0
 39 46  2  0  0  0  0
 40 41  2  0  0  0  0
 40 87  1  0  0  0  0
 41 42  1  0  0  0  0
 41 88  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 89  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 90  1  0  0  0  0
 46 91  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 55  2  0  0  0  0
 49 50  2  0  0  0  0
 49 92  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 93  1  0  0  0  0
 52 53  2  0  0  0  0
 52 94  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 54 95  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 683👍, 0💬