Molecule FYI-1001888

Home > Molecule

A

Molecule Summary:

ID: FYI-1001888
SMILES: O=C(O)C5=C(O)C2=C(C=CC1=C(O)C=3C(=O)C4=C(O)C=C(O)C=C4(C(=O)C=3(C=C12)))C=C5(C).C

Received at FYIcenter.com on: 2022-12-26

Molecule ID: FYI-1001888 Edit

Molecule Structure SMILES String: O=C(O)C5=C(O)C2=C(C=CC1=C(O)C=3C(=O)C4=C(O)C=C(O)C=C4(C(=O)C=3(C=C12)))C=C5(C).C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001888
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4302    0.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9514    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    3.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9938    4.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    3.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153    2.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    5.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    7.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    9.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    9.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998   10.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210   11.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421   11.8401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   12.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4995   12.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3994   13.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9784   11.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785   10.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360    8.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    7.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    6.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1516    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5138    6.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 11  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31 30  2  0  0  0  0
 31  4  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001888-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.6107   -0.3000    0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    0.3513    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256    0.9294    1.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169    0.3107   -1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5396   -0.9853   -1.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -1.2601   -2.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984   -1.9592   -0.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1237   -1.5502    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5228   -2.3137    1.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437   -3.4004    1.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -3.8230    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7181   -4.8550    1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -5.5231    2.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598   -5.2264    0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -6.3358    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -6.8582    2.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -6.8749    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928   -8.1344    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -8.9243    1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7826   -8.6584   -0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197   -7.9005   -1.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9778   -8.3745   -2.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -6.6389   -2.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6491   -6.1401   -1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -4.8560   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4194   -4.0889   -2.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -4.5459   -0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -3.5402   -1.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -3.1392   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6814   -0.2690   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059    0.6980   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    2.1453   -0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5856    1.2650    0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820    0.5222    1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.4663   -2.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   -1.9902    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0411   -3.8658    2.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -5.1216    2.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -8.3952    1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -9.6502   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -9.2777   -2.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   -6.0625   -2.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725   -3.0419   -1.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5987    0.0252    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    2.2705   -0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186    2.6915   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9373    2.5927   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380    1.7789    0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.8280   -0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    1.9866    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    0.4724    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 30 31  2  0  0  0  0
 30 44  1  0  0  0  0
 31 32  1  0  0  0  0
 32 45  1  0  0  0  0
 32 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 33 49  1  0  0  0  0
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-11, 2939👍, 0💬