Molecule FYI-1007384

A

Molecule Summary:

ID: FYI-1007384
Names:
InChIKey: FCIKYGUVHWZSJV-UHFFFAOYSA-N
SMILES: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\\C)c1c(=O)c2c(O)c3C/C=C(C)\\C

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007384 Edit

Molecule Structure InChIKey: FCIKYGUVHWZSJV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(OC)c(OC)c(C/C=C(C)\C)c1c(=O)c2c(O)c3C/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007384
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    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 O   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
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   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
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    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    8.4000    0.0000 O   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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  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 18  1  0  0  0  0
 21 15  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 27  3  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007384-3D
FYIcenter.com

 62 64  0     0  0  0  0  0  0999 V2000
    0.2222   -2.2886    0.2662 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2913   -0.1199   -0.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0331    1.7821   -1.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4995   -2.1466   -0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9210   -2.7347    0.6454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438    1.6091   -0.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6374   -0.3692   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229    0.1690   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545   -0.2126   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526   -1.6914    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4537    0.4452   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8944   -1.5439   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -0.1687   -0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357    0.4803   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1855    1.5795   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -0.6264   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3080   -1.5002   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -2.4826    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257   -2.1881    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481   -1.9497    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360    0.5601   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194    2.5428    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1004    1.2585    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572    3.8398    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2857    1.0462    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170    4.7468    1.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.5007   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -0.7667   -1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -2.8320   -1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3703   -2.7301    1.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879    1.7820    2.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2376    0.0094    0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805    1.6333   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520    1.8762   -1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260   -3.5148    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645   -3.2258    0.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3643    1.3236   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2494   -0.1102   -1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    2.1363    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4596    2.0325    0.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    2.1262   -1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2736    4.2171    2.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    5.5834    1.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229    5.1463    1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729    3.9528   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689    4.6467   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200    5.4849   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -1.2790   -1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8216   -1.4691   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217   -0.0003   -1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8516   -2.2613   -2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0761   -2.9926   -1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5124   -3.8059   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400   -3.3885    2.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869   -3.1079    2.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678   -1.7218    2.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0517    2.5060    2.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7060    2.3291    1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9969    1.0796    2.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1354   -0.1881   -0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1177   -0.9301    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2726    0.3451    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  1  0  0  0  0
  3 41  1  0  0  0  0
  4 17  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 18  2  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 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
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1984👍, 0💬