Molecule FYI-1013115

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A

Molecule Summary:

ID: FYI-1013115
Names:
InChIKey: WTLOITVPXCOIDK-UHFFFAOYSA-N
SMILES: C=CC2OC(CO)C1OCOC(CO)C1O2

Received at FYIcenter.com on: 2024-11-14

Molecule ID: FYI-1013115 Edit

Molecule Structure InChIKey: WTLOITVPXCOIDK-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC2OC(CO)C1OCOC(CO)C1O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013115
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.1264    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    6.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5957    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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  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  3  1  0  0  0  0
 14  7  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013115-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    1.4762    0.9162   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707   -0.0799   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315   -0.8611   -1.1979 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3614   -0.5436   -2.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674   -1.1240   -2.6988 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7100   -0.8316   -4.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -1.4072   -5.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808   -2.6272   -2.4242 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2356   -3.1767   -2.4608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -4.5795   -2.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -4.8927   -0.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -4.3726   -0.7865 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7375   -5.1406   -1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -6.5312   -1.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -2.8592   -1.0431 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9635   -2.2623   -0.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703    1.4068    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399    1.2840   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867   -0.3657    0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -0.5603   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3164   -0.6315   -2.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132    0.2482   -4.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749   -1.2283   -4.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5474   -1.1193   -4.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047   -3.1069   -3.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2983   -5.1124   -3.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -4.9280   -2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806   -4.5431    0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -4.7499   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147   -5.0828   -2.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8010   -6.6127   -0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -2.4289   -0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  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  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1324👍, 0💬