Molecule FYI-1001935

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A

Molecule Summary:

ID: FYI-1001935
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cccc1O

Received at FYIcenter.com on: 2023-01-02

Molecule ID: FYI-1001935 Edit

Molecule Structure SMILES String: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001935
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    4.8498    1.4000    0.0000 C   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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  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
  8  3  1  0  0  0  0
  8  9  1  1  0  0  0
  7 10  1  6  0  0  0
  6 11  1  1  0  0  0
  5 12  1  6  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  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
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001935-3D
FYIcenter.com

 35 36  0  0  1  0  0  0  0  0999 V2000
    2.2449    0.4531   -2.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    1.6307   -2.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.3083   -0.6314 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1785    0.8886   -0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7244    0.4325    0.4993 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7645    1.6086    1.5090 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3570    2.2235    1.6440 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7304    2.5370    0.2780 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3688    2.9545    0.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689    3.4201    2.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101    1.2219    2.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1055   -0.1513    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    0.3030   -0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.2411   -1.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2433   -0.2017   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7039   -1.2028   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822   -1.6862    0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965   -1.1531    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7973   -1.6128    2.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368    0.7174   -3.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    1.9951   -1.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    2.3788   -2.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206    0.4778   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -0.3695    0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4607    2.3817    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    1.5297    2.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    3.3755   -0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730    2.7580    1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863    3.9125    2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    0.2912    2.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    1.2139   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8775    0.1687   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116   -1.5990   -0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2586   -2.4633    1.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2682   -2.3358    2.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  2  1  0  0  0  0
  3 23  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  1  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  6  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  1  0  0  0
  8  9  1  0  0  0  0
  8 27  1  6  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  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
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

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2023-01-08, 1442👍, 0💬