Molecule FYI-1010164

A

Molecule Summary:

ID: FYI-1010164
Names:
InChIKey: SBZWTSHAFILOTE-SOUVJXGZSA-N
SMILES: Oc1cc(O)c3c(c1)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)[C@H]3O

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010164 Edit

Molecule Structure InChIKey: SBZWTSHAFILOTE-SOUVJXGZSA-N

Molecule Structure SMILES String: Oc1cc(O)c3c(c1)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)[C@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010164
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   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
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  1  1  0  0  0
  3 15  1  6  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010164-3D
FYIcenter.com

 36 38  0     1  0  0  0  0  0999 V2000
    0.4258    0.0292   -1.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017   -2.6726   -1.7001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -2.7322    0.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -0.6391    2.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    3.2867   -0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    2.5292   -0.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0459    0.8017    1.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -2.2163   -0.7266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4489   -1.0692   -1.3624 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0830   -1.7459    0.5328 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7474   -0.4159    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732    0.3862   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6838   -0.5637   -0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    0.0645    1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    1.6213   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794    0.7650   -0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128   -1.4314    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255    1.3026    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    2.0786   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093    1.2280   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -0.9682    0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409    0.3614    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -3.0877   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175   -1.4317   -2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -1.6177    1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082    2.2327   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -3.3659   -1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300    1.4494   -1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -2.4748    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -3.5571    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750    1.6590    1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1055   -1.6546    1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -1.4532    2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    3.4443    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    2.9788   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4225    0.0653    1.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  0  0  0
  3 30  1  0  0  0  0
  4 14  1  0  0  0  0
  4 33  1  0  0  0  0
  5 19  1  0  0  0  0
  5 34  1  0  0  0  0
  6 20  1  0  0  0  0
  6 35  1  0  0  0  0
  7 22  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
$$$$

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