Molecule FYI-1014866

A

Molecule Summary:

ID: FYI-1014866
Names:
InChIKey: YJUPNZBEZRVQJD-YHTCJBSDSA-N
SMILES: C=C(C)O[C@@H]1C(O)O[C@@H](C)[C@@H](O)[C@H]1OC

Received at FYIcenter.com on: 2025-06-01

Molecule ID: FYI-1014866 Edit

Molecule Structure InChIKey: YJUPNZBEZRVQJD-YHTCJBSDSA-N

Molecule Structure SMILES String: C=C(C)O[C@@H]1C(O)O[C@@H](C)[C@@H](O)[C@H]1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014866
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   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
    2.4248    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  5  8  1  1  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
 10 11  1  0  0  0  0
  2 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014866-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    0.8782   -1.0034   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857   -1.2110    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6607   -2.1981    1.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636   -0.4276   -0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696   -0.7157   -0.6840 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2623    0.2713    0.2012 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6471   -0.0564    0.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0907    1.6372   -0.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    1.9735   -1.5403 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7692    2.2846   -1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6221    0.9850   -2.5157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9613    1.2638   -3.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8995   -0.4916   -2.1524 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2995   -0.7766   -2.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424   -2.1537   -2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -1.5465    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.2648   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8202   -2.6573    1.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906   -1.7117    1.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -3.0149    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925   -1.7449   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    0.1940    1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591   -0.2135   -0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    2.9360   -1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    1.3998   -1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1601    2.9678   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8941    2.7601   -2.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392    1.1465   -2.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9066    1.0594   -3.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132   -1.1227   -2.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6691   -2.2848   -2.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -2.7960   -2.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6268   -2.4425   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  6  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  1  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 15  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

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