Molecule FYI-1007090

A

Molecule Summary:

ID: FYI-1007090
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-1007090 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-1007090
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-1007090-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    2.2241    0.2416   -1.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585    0.0283    0.1692 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8692    1.2515    0.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582    1.3915    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    0.1129    0.8121 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4500    0.2594    0.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235   -1.2524    0.4002 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8683   -1.6351   -1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1148   -2.3580    1.3321 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5329   -2.4687    1.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358   -3.7469    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -3.8238    0.9374 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5329   -5.1491    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571   -5.3125   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -6.3884    1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0955   -5.1188    0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232   -2.5727    0.3061 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9656   -2.5217    0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -1.2401    0.6851 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5111    1.0364   -1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170   -0.6594   -1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    0.5755   -1.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104   -0.0322    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143    1.1643    1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    2.1658    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7643    2.1762    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142    1.7745   -0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694    0.0785    1.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3158    0.5738   -0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9434   -1.7980   -1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -0.8719   -1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3872   -2.5650   -1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9175   -2.1006    2.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8894   -1.5848    0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8584   -4.4109    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0312   -4.1557    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147   -3.8692    1.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -6.2300   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -5.3776   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -4.4965   -1.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027   -7.2976    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -6.3313    2.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086   -6.5150    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -5.8105   -0.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701   -2.6611   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -3.4381    0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -1.1733    1.7829 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
  7  9  1  0  0  0  0
  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
  9 11  1  0  0  0  0
  9 33  1  1  0  0  0
 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
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 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, 1170👍, 0💬