Molecule FYI-1002676

A

Molecule Summary:

ID: FYI-1002676
Names:
InChIKey: LRMHPGVONLYGQD-MUBJRCALSA-N
SMILES: Cc4cc(O)cc5C[C@@H]3[C@@](C)(CCC2C1(C)CCC(O)[C@](C)(C)[C@@H]1CC[C@@]23C)Oc45

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002676 Edit

Molecule Structure InChIKey: LRMHPGVONLYGQD-MUBJRCALSA-N

Molecule Structure SMILES String: Cc4cc(O)cc5C[C@@H]3[C@@](C)(CCC2C1(C)CCC(O)[C@](C)(C)[C@@H]1CC[C@@]23C)Oc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002676
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  6  1  0  0  0  0
 24 25  1  1  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 27  4  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002676-3D
FYIcenter.com

 70 74  0     1  0  0  0  0  0999 V2000
    2.9833    1.5174    0.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5627   -1.2321    1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2711   -3.4697   -0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218    0.9335    0.2546 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3351    0.9457    0.2558 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6449    1.0258   -1.1627 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4796   -0.1877   -0.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9399    0.8330   -0.9985 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2519   -0.0825   -2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6347   -1.6652   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.1282   -2.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6851    1.9439    1.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5903    1.7901    0.0569 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5063    0.7307    1.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245    1.7302    1.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925   -1.6411    1.3146 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4997    2.3091   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.6914    2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    2.3673   -1.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.6354   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397   -2.5045   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6348   -2.4542   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    3.2534   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523   -0.8045   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    0.2648    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601   -2.0657   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203    0.0896    0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.2430   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4242   -1.1620    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6283    1.2329    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.0311    0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207    0.1135   -0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    1.0473   -1.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063   -1.0640   -1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796    0.0351   -3.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.7480   -2.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877   -0.9741   -2.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    1.8196    2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927    2.9783    0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5686    1.0126    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558    1.4167    2.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    2.4706    2.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032    0.7615    1.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650   -2.6501    1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362    2.5322   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0909    3.1312    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5892    2.3367   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658   -1.0031    2.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410   -0.7095    3.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520    3.2084   -1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420    2.3362   -2.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384    2.6176   -2.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444   -1.2464   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132   -1.0447    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -3.4740    0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997   -2.7382   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -2.0271    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2283   -2.6585   -2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5759   -1.9096   -1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8777   -3.4241   -0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    3.3050   -1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    3.8309    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    3.7855   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8699   -1.2843    2.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7842   -2.9113   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620   -1.3051    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6832    2.0340    0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6555    0.9351    1.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1804    1.6251    2.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -4.0994   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2 16  1  0  0  0  0
  2 64  1  0  0  0  0
  3 28  1  0  0  0  0
  3 70  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 16  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 24  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 65  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1251👍, 0💬