Molecule FYI-1012653

A

Molecule Summary:

ID: FYI-1012653
Names:
InChIKey: YABIJLLNNFURIJ-UHFFFAOYSA-N
SMILES: C/C(C)=C\\Cc1cc3c(cc1O)oc(=O)c4c2ccc(O)cc2oc34

Received at FYIcenter.com on: 2024-10-06

Molecule ID: FYI-1012653 Edit

Molecule Structure InChIKey: YABIJLLNNFURIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\Cc1cc3c(cc1O)oc(=O)c4c2ccc(O)cc2oc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1012653
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   13.2086    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9962    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9962    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5712    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3588    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3588    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5712    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    4.1693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    2.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    4.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464    2.8000    0.0000 C   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  2  2  0  0  0  0
  5  4  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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  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
 18 14  1  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  1  0  0  0  0
 23 21  2  0  0  0  0
 23 17  1  0  0  0  0
 24 15  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  2  0  0  0  0
 25  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012653-3D
FYIcenter.com

 41 44  0     0  0  0  0  0  0999 V2000
    1.2304    1.0249    0.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -2.9085   -0.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2896   -2.3699    0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -3.2188   -0.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5841    3.1108    0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731   -0.2573    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -0.6961    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   -1.0490   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795   -0.1955   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -2.0595   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553   -0.4579    0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867    1.0677    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780    0.1089    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0199    0.4126    0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588   -2.4558   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0434   -1.8197    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572   -2.6319    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -0.3367   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    2.2037    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6593    1.0427   -0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2845    0.7902   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7527    2.0360    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7762    2.3525   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4286    2.9134   -1.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2406    3.3934    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    1.1668    0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849   -0.1482    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.1578    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -3.6882   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8930   -1.2971   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535    3.1630    0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0802    0.3372   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    0.6851   -0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9707   -1.6915    0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8288    2.1200   -2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2587    3.5721   -1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7055    3.4856   -2.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    3.0635    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9111    4.2783   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0232    3.7092    1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572    3.8923    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 34  1  0  0  0  0
  4 15  2  0  0  0  0
  5 22  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 26  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 23  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 1215👍, 0💬