Molecule FYI-1007091

A

Molecule Summary:

ID: FYI-1007091
Names:
InChIKey: LRYIVNCBKZMNEH-UIYOEFSSSA-N
SMILES: C[C@@H]1CC[C@H](O)[C@@]2(C)[C@H](O)C[C@H](C(C)(C)O)[C@@H](O)[C@H]12

Received at FYIcenter.com on: 2024-01-30

Molecule ID: FYI-1007091 Edit

Molecule Structure InChIKey: LRYIVNCBKZMNEH-UIYOEFSSSA-N

Molecule Structure SMILES String: C[C@@H]1CC[C@H](O)[C@@]2(C)[C@H](O)C[C@H](C(C)(C)O)[C@@H](O)[C@H]12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007091
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  1  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  6  1  0  0  0  0
 12 13  1  1  0  0  0
 10 14  1  1  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
  6 18  1  1  0  0  0
  5 19  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007091-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    2.3819    0.3791   -1.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    0.1476    0.0532 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9436    1.3633    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    1.5123    0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.2262    0.6519 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4713    0.3986   -0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6046   -1.1488    0.2942 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9208   -1.5794   -1.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1984   -2.2371    1.2489 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6177   -2.3475    1.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274   -3.6313    0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -3.7127    0.8623 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6329   -5.0392    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532   -5.2002   -1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -6.2816    0.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937   -5.0130    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999   -2.4595    0.2407 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0567   -2.4050    0.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0839   -1.1226    0.5941 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6920    1.1856   -1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   -0.5129   -2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3592    0.7088   -1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    0.0825    0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560    1.2737    1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    2.2797    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8339    2.2334    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    1.9966   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5870    0.1745    1.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306    0.7043   -0.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0032   -1.7364   -1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -0.8561   -1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578   -2.5288   -1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9886   -1.9657    2.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9694   -1.5091    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537   -4.2898    1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1277   -4.0446    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -3.7694    1.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -6.1323   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447   -5.2367   -1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953   -4.4007   -1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999   -7.1876    0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -6.2284    1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139   -6.4128    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077   -5.7035   -0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3150   -2.5536   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.3236    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742   -1.0364    1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2 23  1  1  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  1  0  0  0
  6 29  1  0  0  0  0
  7  8  1  6  0  0  0
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  7 19  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
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 15 43  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  6  0  0  0
 18 46  1  0  0  0  0
 19 47  1  1  0  0  0
M  END
$$$$

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2024-02-11, 993👍, 0💬