Molecule FYI-1015949

A

Molecule Summary:

ID: FYI-1015949
Names:
InChIKey: ZLPSOQFIIQIIAX-UHFFFAOYSA-N
SMILES: O=c4cc(c1ccc(O)c(O)c1)oc5c(C2OC(CO)C(O)C(O)C2O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c45

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015949 Edit

Molecule Structure InChIKey: ZLPSOQFIIQIIAX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4cc(c1ccc(O)c(O)c1)oc5c(C2OC(CO)C(O)C(O)C2O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1015949
FYIcenter.com

 43 47  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   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
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    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
    9.6996    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    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 15  1  0  0  0  0
 19 18  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
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 19  1  0  0  0  0
 29 14  1  0  0  0  0
 30 13  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
 35 34  1  0  0  0  0
 35 30  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 33  1  0  0  0  0
 39 32  1  0  0  0  0
 40 31  1  0  0  0  0
 41 12  1  0  0  0  0
 42  4  1  0  0  0  0
 43  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015949-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
   -2.4075    1.6524    0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    0.5562   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7204   -0.6446   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -1.8639   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -3.0901   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526   -3.0741   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0217   -4.2357   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5307   -5.4309   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2261   -6.6022   -0.5742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872   -5.4669    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070   -6.6517    0.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -4.3166    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978   -2.0627   -0.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -0.9736   -0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   -1.2497   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -2.5268    0.4203 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6443   -2.2892    1.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.4964    2.4754 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1247   -0.9825    3.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    0.0113    3.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077   -2.3749    2.6044 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6161   -3.6159    3.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012   -2.6818    1.1876 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4365   -3.6805    1.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -3.1901    0.2484 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7519   -3.1386   -1.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002   -0.2032   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5556   -0.4937   -1.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    1.1401   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    2.3199   -0.4239 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5088    3.3743   -1.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.3423   -2.6132 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6865    4.4929   -3.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128    4.3273   -3.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    3.5054   -2.3702 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9802    4.7167   -1.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    2.3163   -1.5519 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5981    2.5057   -1.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199    2.1953   -0.2365 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8176    1.0600    0.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5224    1.3853   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720    2.6624   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126    0.3405   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821   -0.4573    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6460   -2.1529   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9871   -4.1798   -1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0655   -6.4168   -1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065   -7.3044    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5555   -4.3874    0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978   -3.3107    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9039   -0.6164    1.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.5021    4.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619   -1.7795    4.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989   -0.2073    2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7019   -1.8848    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546   -3.7759    3.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -1.7900    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2642   -4.2059    2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530   -4.2570    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5897   -3.6529   -1.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444   -1.4135   -1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    2.7298    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808    2.3874   -3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    4.5491   -4.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    5.4570   -2.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    3.3993   -4.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2613    3.5748   -3.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    4.9427   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    1.3938   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6946    3.4417   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258    3.0522    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9429    0.3360   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441    3.3292   -0.2961 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 43  1  0  0  0  0
  3  4  2  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 50  1  0  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 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 41  2  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 69  1  0  0  0  0
 38 70  1  0  0  0  0
 39 40  1  0  0  0  0
 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 218👍, 0💬