Molecule FYI-1001472

A

Molecule Summary:

ID: FYI-1001472
SMILES: OC(COC1=CC=CC2=C1C(C=C(C(O)=O)O2)=O)COC(COC3=CC=CC4=C3C(C=C(C(O)=O)O4)=O)COC5=CC=CC6=C5C(C=C(C(O)=O)O6)=O

Received at FYIcenter.com on: 2022-08-05

Molecule ID: FYI-1001472 Edit

Molecule Structure SMILES String: OC(COC1=CC=CC2=C1C(C=C(C(O)=O)O2)=O)COC(COC3=CC=CC4=C3C(C=C(C(O)=O)O4)=O)COC5=CC=CC6=C5C(C=C(C(O)=O)O6)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001472
FYIcenter.com

 53 58  0  0  0  0  0  0  0  0999 V2000
    9.6996    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   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
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    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  2  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
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  2  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  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  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  2  0  0  0  0
 36 32  1  0  0  0  0
 36 28  1  0  0  0  0
 37 30  2  0  0  0  0
 38 21  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 45 40  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 49  2  0  0  0  0
 52 48  1  0  0  0  0
 52 44  1  0  0  0  0
 53 46  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001472-3D
FYIcenter.com

 79 84  0  0  1  0  0  0  0  0999 V2000
    0.9193   -0.1371   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -0.1553   -0.0085 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8842    0.5354   -1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -0.1431   -2.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    0.4132   -3.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111    0.9572   -3.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    1.5330   -4.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146    1.5287   -6.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    0.9502   -5.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853    0.3936   -4.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -0.1508   -4.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -0.2068   -6.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    0.3695   -7.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    0.3805   -8.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.0380   -9.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776   -0.1409   -8.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7132    0.9864   -7.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -0.5099   -3.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668    0.5447    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    0.5858    1.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324    1.2237    2.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608    0.5390    3.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202   -0.8540    3.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -1.5614    4.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274   -1.3328    5.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -2.0564    6.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -3.0540    7.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7888   -3.3227    6.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2007   -2.5774    5.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5310   -2.8973    4.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2296   -4.0669    5.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7111   -4.6950    6.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4767   -5.8327    6.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604   -6.3600    8.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5389   -6.2462    6.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5257   -4.3444    7.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872   -2.2474    3.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678    1.1843    2.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9248    1.8623    3.5938 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2778    1.7577    3.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0437    0.7370    3.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4286    0.6851    3.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0738    1.6523    4.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255    2.6542    4.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9294    2.6984    4.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2200    3.7427    5.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644    4.7535    6.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3858    4.6030    6.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2110    5.6037    6.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5297    5.3062    6.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735    6.5714    7.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0596    3.5568    5.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0063    3.7894    5.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6438   -0.4581   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683   -1.2046   -0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737    0.4854   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    1.5788   -1.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8199    0.9421   -2.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390    1.9740   -4.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    1.9721   -6.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607   -0.6836   -6.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.4232   -9.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -0.0199    2.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    1.5657    1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5029    2.2698    2.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786    0.6619    3.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015    1.0134    4.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   -0.6022    5.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -1.8406    7.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2616   -3.6259    7.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1689   -4.3513    4.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211   -5.9077    8.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7296    1.6667    1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6588    0.1310    2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949   -0.0693    2.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -0.1208    2.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1508    1.6166    4.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    5.5691    6.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7171    4.4978    6.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3 56  1  0  0  0  0
  3 57  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 58  1  0  0  0  0
  7  8  2  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 60  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 61  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 62  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 65  1  0  0  0  0
 22 23  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  2  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  2  0  0  0  0
 28 36  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 37  2  0  0  0  0
 31 32  2  0  0  0  0
 31 71  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 72  1  0  0  0  0
 38 39  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 43  2  0  0  0  0
 42 76  1  0  0  0  0
 43 44  1  0  0  0  0
 43 77  1  0  0  0  0
 44 45  2  0  0  0  0
 44 52  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 53  2  0  0  0  0
 47 48  2  0  0  0  0
 47 78  1  0  0  0  0
 48 49  1  0  0  0  0
 48 52  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 50 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 1021👍, 0💬