Molecule FYI-1003313

A

Molecule Summary:

ID: FYI-1003313
Names:
InChIKey: OLQDSHNOFOTYAN-UHFFFAOYSA-N
SMILES: O=C6c1ccccc1C7(O)Oc5c(O)c4OC3(O)c2ccccc2C(=O)C3(O)c4cc5C67O

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003313 Edit

Molecule Structure InChIKey: OLQDSHNOFOTYAN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C6c1ccccc1C7(O)Oc5c(O)c4OC3(O)c2ccccc2C(=O)C3(O)c4cc5C67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003313
FYIcenter.com

 33 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    6.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    4.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    3.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6855    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6855    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    3.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    7.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    8.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    8.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242    9.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   10.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961   11.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7060   11.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983   11.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9212   12.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3518   14.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   14.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   13.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893   10.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    9.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    9.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2174    8.7505    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  1  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  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 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 32 19  1  0  0  0  0
 32 22  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003313-3D
FYIcenter.com

 47 53  0  0  1  0  0  0  0  0999 V2000
    1.5798    0.9456   -1.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.2256   -0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400   -0.9940   -1.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839   -1.4057   -2.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046   -2.5295   -2.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332   -3.2066   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460   -2.7846   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350   -1.6618   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848   -0.9715    1.1630 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8221   -1.7016    2.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786   -0.8235    1.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103    0.4189    1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945    0.8852    1.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5939    0.1931    2.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0419    2.0494    0.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666    2.6680    1.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1879    3.7981    0.1309 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2440    5.0237    0.8356 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660    3.6865   -0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    4.0333   -0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6513    3.6561   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2930    2.9209   -2.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9569    2.6111   -2.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0172    3.0365   -1.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604    2.9208   -2.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9749    2.3949   -2.9594 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    3.6135   -0.7971 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1812    4.7681   -1.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1627    2.6560    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    2.2602   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.1447    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    0.4561    0.7918 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3812    1.1125    1.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -0.8497   -3.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420   -2.8711   -3.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060   -4.0661   -2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0995   -3.3136    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -2.6054    2.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291   -0.5994    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0199    4.7734    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9655    4.5668    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6944    3.9124   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0672    2.5969   -3.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6654    2.0493   -3.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7447    5.3544   -1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464    2.7701   -0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470    1.7827    1.3274 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 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  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
 27 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2464👍, 0💬