Molecule FYI-1003288

A

Molecule Summary:

ID: FYI-1003288
Names:
InChIKey: VSGXZFSFDLDIJY-UHFFFAOYSA-N
SMILES: COc3cccc(c2cnc(c1ccc(OC)c(OC)c1OC)o2)c3OC

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003288 Edit

Molecule Structure InChIKey: VSGXZFSFDLDIJY-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cccc(c2cnc(c1ccc(OC)c(OC)c1OC)o2)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003288
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8272    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2598    7.1410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    7.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    5.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6501    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    8.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    9.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    7.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    6.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0806    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9035    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8651    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6116    6.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7495   10.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    3.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0805    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   11.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1187    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003288-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
   -0.6420    0.3589   -0.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264    2.0159    0.7768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1854    0.4522    0.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3882   -1.0515    0.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320   -2.0975   -0.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0240   -1.8617    0.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    2.3666   -0.4429 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7185    0.2646   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716    0.8763   -0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988    1.3269   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236    1.0611   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    0.7593    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386   -0.0308    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3291   -0.2990    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965   -1.0202   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -1.3155   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660    2.5435   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456   -1.8102   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9449    1.6340   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6600   -0.7166    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2757    1.2165   -1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    0.0412   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    2.1421    2.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    1.1514   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201   -2.3940    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237   -3.3977   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4052   -2.2157    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -1.4298   -1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7553   -2.7965   -1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0328    1.8068   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9424    1.4733    0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1620   -2.6526    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8096   -3.3472   -1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3028   -4.0203   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5137   -3.1510    1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0278   -1.4696    1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7413   -2.4166   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6 20  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 19  1  0  0  0  0
 10 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1492👍, 0💬