Molecule FYI-1015703

A

Molecule Summary:

ID: FYI-1015703
Names:
InChIKey: YTMNONATNXDQJF-UBNZBFALSA-N
SMILES: [Cl-].OC[C@H]4O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]4O

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015703 Edit

Molecule Structure InChIKey: YTMNONATNXDQJF-UBNZBFALSA-N

Molecule Structure SMILES String: [Cl-].OC[C@H]4O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015703
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
   13.0119    6.3000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.6994    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   10.5000    0.0000 O   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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22 15  1  0  0  0  0
 23  2  1  6  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 27  1  1  0  0  0
 28 26  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30 23  1  0  0  0  0
 30 31  1  1  0  0  0
 25 32  1  6  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015703-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
   -0.1526    0.7544    0.7890 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.1126   -3.5666   -2.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056   -2.8158   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240   -2.0668   -1.3361 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7205   -1.1283   -2.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6761   -0.3618   -2.8950 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2260    0.4929   -3.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -0.0600   -5.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687   -1.2746   -5.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -1.7838   -6.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5432   -3.0481   -6.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -3.9077   -5.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468   -3.5179   -7.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7593   -2.7223   -8.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -3.1408   -9.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684   -1.4657   -8.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449   -0.9891   -7.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063    0.1541   -7.3289 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.7727    0.6562   -6.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571    2.0436   -6.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3127    2.9799   -5.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    4.2930   -5.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416    4.7033   -6.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    5.9819   -6.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764    3.8084   -7.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235    4.2221   -8.9268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    2.4953   -7.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758   -1.2132   -3.4697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5521   -0.3775   -3.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469   -2.2658   -2.4641 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8300   -3.1919   -3.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469   -3.0253   -1.8608 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1881   -3.9122   -0.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -4.4945   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3865   -2.1006   -0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374   -3.4972   -0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -1.5422   -0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    0.3277   -2.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.8330   -4.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -3.5073   -4.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017   -4.5043   -7.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574   -4.0215   -9.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195   -0.8542   -9.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    2.7144   -4.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997    4.9630   -4.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0548    6.4904   -6.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746    5.1581   -8.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513    1.8328   -8.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461   -1.7419   -4.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -0.0890   -3.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.8081   -1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -3.7991   -3.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6685   -3.6603   -2.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -3.3878   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4  3  1  0  0  0  0
  4 37  1  1  0  0  0
  5  6  1  0  0  0  0
  6 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 49  1  6  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 51  1  1  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  6  0  0  0
 33 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 196👍, 0💬