Molecule FYI-1007373

A

Molecule Summary:

ID: FYI-1007373
Names:
InChIKey: QXRLQTRFEMAPRP-MDZDMXLPSA-N
SMILES: COc3cc2oc1cc(O)c(OC)c(/C=C/C(C)(C)O)c1c(=O)c2c(O)c3C/C=C(C)/C

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

Molecule ID: FYI-1007373 Edit

Molecule Structure InChIKey: QXRLQTRFEMAPRP-MDZDMXLPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007373
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9120    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.7124    0.0000 C   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  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  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
 16  8  1  0  0  0  0
 17 15  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 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 29 18  1  0  0  0  0
 30  6  1  0  0  0  0
 31 30  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007373-3D
FYIcenter.com

 60 62  0     0  0  0  0  0  0999 V2000
   -0.2060   -2.5353   -0.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084   -1.5752   -0.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770    2.0601   -0.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1045   -1.1821    0.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118    1.4399    0.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219    3.8909   -1.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -3.8066    0.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4815   -0.7957    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -0.2046   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -1.5734   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251   -0.4612    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929   -2.1301   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.2499    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866    0.2560   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829    0.7151   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5400   -1.1122   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899   -2.0268   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -1.4734    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4193    1.2283   -0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469    3.1085   -0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557   -3.1389    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3097    0.9121    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -2.8098    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305    1.6876   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0372    1.5406    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811    3.1576   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896    3.7534    0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3032    1.3179    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2506   -1.7335   -2.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8551    1.6557    2.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3011    0.6922    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5672   -1.1069    1.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -3.0927   -0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666    2.1756   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1449    0.8853   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    1.2913    1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532   -4.1796   -0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    1.2562   -1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3637    2.0107    1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418    4.1917   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7389    2.7653   -2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    2.5809   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    3.7792    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    4.7974    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    3.2261    1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    2.2571   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    3.5535   -2.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8771   -4.6642    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9219   -0.9090   -2.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3435   -1.7653   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8725   -2.6797   -2.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0866    2.0847    3.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6659    2.3859    2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2426    0.7558    3.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0961    0.8655   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3607   -0.3861    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2973    1.1149    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -2.0884    2.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954   -0.3738    2.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6151   -0.7946    1.8589 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 29  1  0  0  0  0
  3 15  1  0  0  0  0
  3 46  1  0  0  0  0
  4 18  1  0  0  0  0
  4 32  1  0  0  0  0
  5 13  2  0  0  0  0
  6 20  1  0  0  0  0
  6 47  1  0  0  0  0
  7 23  1  0  0  0  0
  7 48  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 11 22  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 24 38  1  0  0  0  0
 25 28  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1818👍, 0💬