Molecule FYI-1014225

A

Molecule Summary:

ID: FYI-1014225
Names:
InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N
SMILES: COc1ccccc1OCCNCC(O)COc3cccc4[nH]c2ccccc2c34

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014225 Edit

Molecule Structure InChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1OCCNCC(O)COc3cccc4[nH]c2ccccc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014225
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   14.3771    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5897    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1647    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  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
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 29 21  1  0  0  0  0
 30 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014225-3D
FYIcenter.com

 56 59  0     1  0  0  0  0  0999 V2000
   -2.4196    1.7089    0.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639    4.4748   -0.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    0.6830   -0.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985   -0.5016    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -2.9353   -0.2044 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9029    2.7537   -0.4353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5279   -0.7147   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556   -1.0841   -1.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0664   -1.8909    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -2.4752   -1.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096    0.5156    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    3.7748    0.3357 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6928    2.5051    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    3.5010   -0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -1.9004    1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -0.3603   -1.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    0.5222    1.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433   -3.1812   -2.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312   -0.6693    2.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    2.8589   -1.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0921   -1.0525   -2.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -2.4422   -3.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    2.0415   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830   -0.0692    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -0.6607    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -0.2406   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -1.4238    2.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5856   -1.0036    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418   -1.5951    1.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -1.1390    2.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    4.4281    1.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7592   -3.9096   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    2.7988    1.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8531    1.9352    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.4770   -1.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117    2.9872   -1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750   -2.8280    1.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944    0.7211   -1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1358    1.4577    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -4.2638   -2.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638    1.7757   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0335   -0.6426    2.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    2.4822   -2.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587    3.9032   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356   -0.4973   -3.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -2.9607   -3.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378    2.1081   -1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5864    2.4375   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    4.6729    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3701    0.2073   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356   -1.9130    2.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6546   -1.1387    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5107   -2.1897    2.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -2.2292    2.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210   -0.7413    3.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518   -0.9022    2.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 49  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 32  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 15  1  0  0  0  0
 10 18  2  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  2  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1633👍, 0💬