Molecule FYI-1016426

A

Molecule Summary:

ID: FYI-1016426
Names:
InChIKey: MXXTUSVIMMILLV-OETOMCIHSA-N
SMILES: C/C=C/2[C@H](CC(=O)OCCc1ccc(OC)c(OC)c1)C(C(=O)OC)=CO[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Received at FYIcenter.com on: 2026-01-03

Molecule ID: FYI-1016426 Edit

Molecule Structure InChIKey: MXXTUSVIMMILLV-OETOMCIHSA-N

Molecule Structure SMILES String: C/C=C/2[C@H](CC(=O)OCCc1ccc(OC)c(OC)c1)C(C(=O)OC)=CO[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016426
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    8.7733    6.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    6.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102    4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    2.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7432    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7432    2.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9542    2.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7432    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9542    4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321    6.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    6.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1102   10.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992   11.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3211   11.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5321   10.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3473    6.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    9.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0552    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    6.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 13 14  1  1  0  0  0
 15 13  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  6  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 24  3  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  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  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 34  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 37  2  0  0  0  0
 40 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016426-3D
FYIcenter.com

 76 78  0     1  0  0  0  0  0999 V2000
    4.4741    0.0220    0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    0.9053   -0.9968 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   -1.7364   -1.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947   -2.6010    1.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130   -0.9366   -2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.0858   -1.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532   -0.4352    3.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5942    1.4743    1.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018    2.3742   -2.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481    3.6752    1.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027    0.2401   -1.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7242   -3.3967    0.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8877   -3.5186   -1.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.6732   -0.7411 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4086   -1.4313    0.7421 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2813   -0.5471   -1.3348 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1167   -1.0993    1.4925 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0676   -0.2419   -0.4570 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3867   -0.7394    2.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    0.8687   -0.7424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1106    2.2382   -0.3830 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3978    2.2505   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7227    1.1701   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671    2.0290    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    0.2297   -1.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814    3.4060   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    2.5253    1.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645    1.1790   -1.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4507    4.7464   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492    1.7799    2.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6508    0.5208    2.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    2.5376   -2.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7107   -0.5574    1.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6806   -1.4925    1.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7962   -0.6186    0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361   -2.4891    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8517   -1.6150   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8218   -2.5503   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -3.0675   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0310   -3.5110   -2.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477   -2.6468   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -0.6163    0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878    0.3552   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4217   -1.9501    1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -1.1041   -0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0241    0.1483    3.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8583   -1.5675    3.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    0.3514    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263    3.1918   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8254   -0.8775   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3528   -3.3271    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705   -1.7369   -2.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2095    2.5858    1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.9737    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -0.5134   -2.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1559    3.3971   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489   -0.2052    4.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    4.7597    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    5.4496   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    5.1254   -1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553    2.5352    3.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644    2.1826    1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6659    0.7677    3.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1237    0.1261    3.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027    1.7934   -3.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4920    2.4557   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284    3.5353   -2.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8316   -1.4501    2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6028    0.1066    0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7240   -1.6004   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -2.8816   -1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015   -2.1897    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -3.9142   -0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9181   -4.3474   -2.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0781   -2.5981   -2.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9546   -3.6879   -1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 50  1  0  0  0  0
  4 15  1  0  0  0  0
  4 51  1  0  0  0  0
  5 16  1  0  0  0  0
  5 52  1  0  0  0  0
  6 20  1  0  0  0  0
  6 25  1  0  0  0  0
  7 19  1  0  0  0  0
  7 57  1  0  0  0  0
  8 27  1  0  0  0  0
  8 30  1  0  0  0  0
  9 28  1  0  0  0  0
  9 32  1  0  0  0  0
 10 27  2  0  0  0  0
 11 28  2  0  0  0  0
 12 36  1  0  0  0  0
 12 39  1  0  0  0  0
 13 38  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  2  0  0  0  0
 23 25  2  0  0  0  0
 23 28  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 29  1  0  0  0  0
 26 56  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 33  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 68  1  0  0  0  0
 35 37  2  0  0  0  0
 35 69  1  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
 37 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 40 74  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-01-24, 132👍, 0💬