Molecule FYI-1004104

A

Molecule Summary:

ID: FYI-1004104
Names:
InChIKey: DDELFAUOHDSZJL-UHFFFAOYSA-N
SMILES: CC6OC(Oc5cc(O)c4c(=O)c(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)c(c3ccc(O)cc3)oc4c5)C(O)C(O)C6O

Received at FYIcenter.com on: 2023-08-11

Molecule ID: FYI-1004104 Edit

Molecule Structure InChIKey: DDELFAUOHDSZJL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC6OC(Oc5cc(O)c4c(=O)c(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)c(c3ccc(O)cc3)oc4c5)C(O)C(O)C6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004104
FYIcenter.com

 52 57  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 32  1  0  0  0  0
 37 31  1  0  0  0  0
 38 30  1  0  0  0  0
 39 17  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 44 39  1  0  0  0  0
 45 42  1  0  0  0  0
 46 12  1  0  0  0  0
 47 46  1  0  0  0  0
 48 11  1  0  0  0  0
 49 10  1  0  0  0  0
 50  5  1  0  0  0  0
 51  4  1  0  0  0  0
 52  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004104-3D
FYIcenter.com

 92 97  0  0  1  0  0  0  0  0999 V2000
   -0.3420    0.0291   -5.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -0.5820   -4.5149 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9173    0.2801   -3.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418    0.3627   -4.3288 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9964    1.2626   -3.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900    2.5279   -3.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    3.2410   -2.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    4.5885   -2.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350    5.3339   -1.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767    5.1943   -3.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    6.5155   -3.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    6.8043   -3.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5344    7.2963   -4.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    8.6810   -4.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068    9.2437   -3.4942 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2521    9.1698   -2.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775    9.9447   -2.7033 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9091    9.6585   -1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334    9.9620   -0.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617   11.4298   -2.8764 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9885   12.0127   -1.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672   11.6219   -3.9587 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0139   12.9859   -3.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   10.6739   -3.6719 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9578   10.7223   -4.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552   10.9028   -5.8540 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5708    9.7515   -6.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    8.6362   -6.5472 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9416    7.5704   -7.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106    8.9966   -6.9485 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0123    9.3498   -8.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811   10.1724   -6.0963 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7106   10.5298   -6.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3928   11.3456   -6.2669 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8197   12.4907   -5.5221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    6.5351   -5.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201    7.1098   -6.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5585    7.1548   -7.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638    7.8602   -8.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068    8.4248   -8.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605    9.1057   -9.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    8.2913   -7.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557    7.6503   -6.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    5.1293   -5.5453 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    4.4921   -4.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    3.1373   -4.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -1.0137   -4.2841 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0027   -1.5355   -2.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -1.9771   -5.1175 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6331   -3.2910   -5.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184   -2.0028   -4.5979 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2334   -2.8186   -5.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674    1.0280   -5.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808   -0.5856   -6.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    0.1531   -6.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854   -0.6300   -3.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    0.7013   -5.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354    2.7376   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    4.7992   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    8.7239   -3.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3838    9.5795   -3.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726    8.5931   -1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314   10.2342   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915    9.2368   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   12.0183   -3.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0149   11.3139   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605   11.4445   -4.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   13.2549   -2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064   10.9691   -2.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   11.7192   -6.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4757    8.2458   -5.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7494    7.9600   -8.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957    7.2385   -7.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    6.6941   -7.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736    8.1333   -6.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    9.8110   -8.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437    9.8718   -5.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887   10.6213   -7.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3908   11.6476   -7.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4844   12.3690   -4.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    6.6474   -8.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    7.9509   -9.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    9.1283  -10.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206    8.6989   -7.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    7.5738   -5.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4834    2.6144   -5.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.9615   -4.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534   -0.8898   -2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -1.6793   -6.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9327   -3.4124   -4.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -2.4411   -3.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800   -3.1291   -6.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  2 51  1  0  0  0  0
  2 56  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  4 57  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  2  0  0  0  0
  7  8  2  0  0  0  0
  7 58  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 59  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 71  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 77  1  0  0  0  0
 33 78  1  0  0  0  0
 34 35  1  0  0  0  0
 34 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 37  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  1  0  0  0  0
 37 43  2  0  0  0  0
 38 39  2  0  0  0  0
 38 81  1  0  0  0  0
 39 40  1  0  0  0  0
 39 82  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 41 83  1  0  0  0  0
 42 43  1  0  0  0  0
 42 84  1  0  0  0  0
 43 85  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 86  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 87  1  0  0  0  0
 48 88  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 89  1  0  0  0  0
 50 90  1  0  0  0  0
 51 52  1  0  0  0  0
 51 91  1  0  0  0  0
 52 92  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1862👍, 0💬