Molecule FYI-1014501

A

Molecule Summary:

ID: FYI-1014501
Names:
InChIKey: QEQYOGWBXQZPRD-UHFFFAOYSA-N
SMILES: N#CC2C(=O)Oc1cc(O)ccc1C2c4ccc3OCOc3c4

Received at FYIcenter.com on: 2025-04-23

Molecule ID: FYI-1014501 Edit

Molecule Structure InChIKey: QEQYOGWBXQZPRD-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC2C(=O)Oc1cc(O)ccc1C2c4ccc3OCOc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014501
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    8.3150    8.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532    9.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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    0.0000    0.0000 O   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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   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  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 12  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014501-3D
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    1.0639    0.0429   -0.0639 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.0429   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448    0.0429   -0.0639 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4422   -1.2121    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -2.2661    0.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217   -1.1435    0.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5285    0.0785    0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141    0.0205    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192    1.2142    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9757    1.2307    1.1114 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9691    2.4432    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5806    2.4868    0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    1.2972    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    1.2979    0.6648 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7668    1.5215    2.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681    2.5980    2.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839    2.8961    3.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406    2.1319    4.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    2.3333    5.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562    1.4590    6.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733    0.4909    5.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6975    1.0759    4.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    0.7260    3.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    0.0793   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4145   -0.9399    0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2911    0.3191    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5386    3.3651    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773    3.4518    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392    2.1562    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539    3.2313    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074    3.7263    3.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.9390    7.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3944    2.0756    6.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421   -0.1064    3.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  2  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

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2025-05-12, 2826👍, 0💬