Molecule FYI-1014872

A

Molecule Summary:

ID: FYI-1014872
Names:
InChIKey: LRQOQMWIEDQCHM-KBZGZOOASA-N
SMILES: OC[C@H]3O[C@@H](O[C@@]2(O)[C@H](O)[C@@H](O)[C@H](O[C@]1(O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]3O

Received at FYIcenter.com on: 2025-06-02

Molecule ID: FYI-1014872 Edit

Molecule Structure InChIKey: LRQOQMWIEDQCHM-KBZGZOOASA-N

Molecule Structure SMILES String: OC[C@H]3O[C@@H](O[C@@]2(O)[C@H](O)[C@@H](O)[C@H](O[C@]1(O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014872
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    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    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    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   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    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
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  6  8  1  1  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
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 12 17  1  6  0  0  0
 18 17  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
 23 24  1  1  0  0  0
 22 25  1  6  0  0  0
 21 26  1  1  0  0  0
 19 27  1  1  0  0  0
 28 27  1  0  0  0  0
 18 29  1  1  0  0  0
 10 30  1  6  0  0  0
 31 30  1  0  0  0  0
  9 32  1  6  0  0  0
  5 33  1  6  0  0  0
  4 34  1  1  0  0  0
  3 35  1  6  0  0  0
 36  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014872-3D
FYIcenter.com

 68 70  0  0  1  0  0  0  0  0999 V2000
    8.2810    3.4914   -2.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6048    3.0051   -2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    2.0821   -1.7097 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1264    0.9858   -1.6507 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2925    0.2045   -0.4729 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1445   -0.6361   -0.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    0.0576   -0.1230 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9181   -0.9270    0.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    1.0815    1.0471 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0829    0.4164    2.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381    1.9411    1.1245 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8622    2.9393    2.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763    2.5668   -0.2611 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2493    3.4543   -0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121    4.4669   -1.2277 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4751    5.1454   -1.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712    5.5624   -0.8509 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3057    6.6998   -1.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262    5.0646   -0.9299 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4265    4.2031    0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692    4.4100   -2.3088 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3290    5.3612   -3.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530    3.4260   -2.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    3.8538   -2.5992 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2369    4.6759   -3.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    3.8648   -5.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584    1.4791   -1.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    0.7739   -1.4170 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2467   -0.1778   -2.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075    0.5832   -3.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6303   -0.5568   -0.6071 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9069   -1.3803    0.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616    0.5003   -0.7803 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0333   -0.1101   -1.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4497    1.5314   -1.8935 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3881    2.6082   -1.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7058    3.0757   -3.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607    3.8761   -2.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    2.4776   -3.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9550    2.6581   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3840    0.8331    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1692   -0.9010   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7540    1.7709    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5495   -0.4063    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    1.3413    1.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360    2.4471    2.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    3.1385   -0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5973    5.5723   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3801    5.9257    0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2666    6.8524   -1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567    5.9293   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3169    3.2952   -0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5203    3.8701   -2.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7697    6.1826   -3.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3812    2.9125   -2.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.5758   -3.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9733   -3.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1661    3.5381   -4.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0922    1.5482   -1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202   -0.7566   -2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0920   -0.8666   -2.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    1.2097   -3.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6172   -1.2276   -1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6627   -0.9027    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8932    1.0324    0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -0.6894   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5347    1.0301   -2.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6100    2.8449   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3  2  1  0  0  0  0
  3 40  1  1  0  0  0
  4  5  1  0  0  0  0
  5 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  1  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7  8  1  1  0  0  0
  7  6  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  6  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 45  1  1  0  0  0
 12 46  1  0  0  0  0
 13 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  6  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  1  0  0  0
 18 50  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  1  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  1  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  6  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  6  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 63  1  6  0  0  0
 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 65  1  1  0  0  0
 34 66  1  0  0  0  0
 35 36  1  0  0  0  0
 35 67  1  6  0  0  0
 36 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1447👍, 0💬