Molecule FYI-1004255

A

Molecule Summary:

ID: FYI-1004255
Names:
InChIKey: LCLHHZYHLXDRQG-UHFFFAOYSA-K
SMILES: O=C([O-])C3OC(OC2C(O)C(O)C(OC1C(O)C(O)C(O)OC1C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C3O

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004255 Edit

Molecule Structure InChIKey: LCLHHZYHLXDRQG-UHFFFAOYSA-K

Molecule Structure SMILES String: O=C([O-])C3OC(OC2C(O)C(O)C(OC1C(O)C(O)C(O)OC1C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004255
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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 C   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   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
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  5  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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 14  1  0  0  0  0
 29 28  1  0  0  0  0
 29  9  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33  7  1  0  0  0  0
 34 33  1  0  0  0  0
 34  2  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004255-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    3.5265    5.2173   -5.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    5.4648   -6.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    5.9555   -7.2830 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1550    5.0007   -5.7191 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9498    4.7824   -4.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396    3.6587   -3.7479 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2147    3.3879   -2.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    4.4752   -1.4514 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7805    4.8324   -1.1341 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9027    5.9525   -0.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    3.6123   -0.5489 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8653    3.9710   -0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581    2.9498    0.6468 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0416    3.5871    1.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    2.7311    3.0573 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1931    3.0210    3.3850 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6532    2.1453    4.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664    4.4760    3.8560 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3226    4.7784    4.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402    4.6837    5.1205 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4660    3.9645    6.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060    4.3720    4.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4769    3.0067    4.3602 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9509    2.5175    4.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7955    3.2407    5.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    1.3550    3.9203 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3537    2.8289    0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    4.0438   -0.1057 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8356    3.9246   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936    4.0299    1.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    3.8181   -1.1059 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3099    2.3739   -4.5520 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1059    2.0429   -4.4440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    2.5473   -6.0457 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2108    1.3474   -6.7419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341    3.7637   -6.5730 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0188    3.9600   -7.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    5.8130   -6.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190    3.8093   -3.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    5.3482   -1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    5.1550   -2.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    5.6112    0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5715    2.8586   -1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    4.8625    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    1.9303    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.6752    2.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591    2.8625    2.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2978    2.3803    4.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    5.1572    3.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497    4.6642    3.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9062    5.7398    5.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    3.1099    5.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540    2.3600    5.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025    4.8314    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385    1.5078   -4.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    2.5779   -3.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6921    2.6603   -6.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    1.2058   -6.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357    3.5436   -6.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    4.6739   -8.0865 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  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 55  1  0  0  0  0
 33 56  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 36 37  1  0  0  0  0
 36 59  1  0  0  0  0
 37 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1663👍, 0💬