Molecule FYI-1006725

A

Molecule Summary:

ID: FYI-1006725
Names:
InChIKey: WCUHTHVUZQCBTI-KBAYOESNSA-N
SMILES: O[C@@H]4Cc2c(ccc3ccc1ccccc1c23)[C@@H](O)[C@@H]4O

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006725 Edit

Molecule Structure InChIKey: WCUHTHVUZQCBTI-KBAYOESNSA-N

Molecule Structure SMILES String: O[C@@H]4Cc2c(ccc3ccc1ccccc1c23)[C@@H](O)[C@@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006725
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    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    3.5000    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
    0.0000    5.6000    0.0000 C   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
    1.2124    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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
    4.8498    0.0000    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    1.4000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  4  1  0  0  0  0
 17  8  2  0  0  0  0
 18  5  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20  2  1  0  0  0  0
 20 21  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006725-3D
FYIcenter.com

 37 40  0     1  0  0  0  0  0999 V2000
    3.3877    1.1280    1.6604 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499    2.9935   -0.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602   -1.1011   -1.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847    0.8024    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6467    1.6089   -0.6003 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7885   -0.0934   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -0.6847    0.0880 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1876    1.3610   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387   -1.0475    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175   -0.4949    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -1.9047    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304   -2.4031    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326    0.3511    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -2.8216    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1197   -0.2611   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -2.4494    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424   -1.6437   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    1.7713    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070    0.4925   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632    2.5185    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2815    1.8778   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6253    1.0464    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    1.3466   -1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165   -1.2463    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    1.8050   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    1.8980    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -3.1480    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -3.8925    0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715   -3.5282    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741    3.1221   -0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0299    0.6140    2.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -2.0727   -1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2195   -2.1219   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.3667    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2763   -0.0010   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0202    3.6022    0.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2051    2.4469   -0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  2  5  1  0  0  0  0
  2 30  1  0  0  0  0
  3  7  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2024-01-24, 2553👍, 0💬