Molecule FYI-1003001

A

Molecule Summary:

ID: FYI-1003001
Names:
InChIKey: HDYUJEFZBGAZNY-RMKNXTFCSA-N
SMILES: Cc2c1CCOC(=O)c1cc3c2C(=O)C(C)(C)C3OC5OC(CO)C(OC(=O)/C=C/c4ccc(O)cc4)C(O)C5O

Received at FYIcenter.com on: 2023-05-05

Molecule ID: FYI-1003001 Edit

Molecule Structure InChIKey: HDYUJEFZBGAZNY-RMKNXTFCSA-N

Molecule Structure SMILES String: Cc2c1CCOC(=O)c1cc3c2C(=O)C(C)(C)C3OC5OC(CO)C(OC(=O)/C=C/c4ccc(O)cc4)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003001
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   19.0712    2.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1344    4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2608    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6302    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5670    5.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9364    5.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3691    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4323    8.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0628    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1261    8.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6955    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    2.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344    1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    1.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   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
    3.6373    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
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  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
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 36  1  0  0  0  0
 40 22  1  0  0  0  0
 41 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003001-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
    3.9257   -3.7825   -4.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -4.3208   -3.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887   -4.8909   -3.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6912   -4.9577   -4.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2069   -4.9966   -4.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360   -6.0718   -3.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -6.1076   -2.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7649   -6.6737   -1.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8226   -5.4783   -2.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3305   -5.4594   -1.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1942   -4.7257   -0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252   -4.2325   -1.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119   -3.6644   -1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3286   -3.1140   -1.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -3.9195    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519   -5.1355    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498   -2.6889    0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7247   -4.2245    0.4962 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3251   -2.9631    0.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546   -2.7338    1.5331 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3417   -1.4013    2.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9247   -0.4895    0.9928 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5709    0.8507    1.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5762    0.6346    2.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981   -0.4942   -0.2216 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9435    0.4874   -0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084    1.7040   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4939    2.0687   -0.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    2.4917   -0.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7060    3.8022   -1.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8878    4.5281   -1.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0701    4.6488   -2.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2344    5.2390   -3.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1919    5.7041   -2.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3530    6.2704   -2.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055    5.5981   -1.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8452    5.0028   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5435   -1.8848   -0.5205 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7670   -1.7649   -1.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7680   -2.7385    0.7398 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1721   -4.0626    0.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -4.0334   -5.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584   -2.6927   -4.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -4.2187   -4.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212   -4.0853   -5.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211   -5.8631   -5.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6174   -4.0588   -4.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6481   -5.1551   -5.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963   -5.9458   -0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -4.9713    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649   -5.3267    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037   -6.0377    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -2.5852    0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7545    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -2.7583    2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884   -4.9162    1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4771   -3.4232    2.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640   -0.8420    0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    1.5413    0.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4327    1.3113    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7938    1.1603    2.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -0.2584   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7717    1.9604   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7602    4.3230   -1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3277    4.2679   -3.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3729    5.3093   -4.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3455    6.2622   -3.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7686    5.9667   -0.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7148    4.9032    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8673   -2.4320   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6158   -1.1241   -1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5848   -2.3188    1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556   -4.6752    1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 63  1  0  0  0  0
 30 31  1  0  0  0  0
 30 64  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  2  0  0  0  0
 32 33  2  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 66  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 67  1  0  0  0  0
 36 37  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 41  1  0  0  0  0
 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1594👍, 0💬