Molecule FYI-1006906

A

Molecule Summary:

ID: FYI-1006906
Names:
InChIKey: VEUQWGPUUYXBDE-UHFFFAOYSA-N
SMILES: C/C(C)=C/Cc4c(O)cc3oc2cc(O)c1OC(C)(C)CCc1c2c(=O)c3c4O

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006906 Edit

Molecule Structure InChIKey: VEUQWGPUUYXBDE-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C/Cc4c(O)cc3oc2cc(O)c1OC(C)(C)CCc1c2c(=O)c3c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006906
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
   14.5872    4.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    5.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    5.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3716    6.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1560    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1560    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3716    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8028    6.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    7.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3716    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1560    1.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0780    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    1.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0780    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0301    7.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6698    7.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542    6.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7524    5.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1480    7.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0184    7.0183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5046    5.1008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2540    7.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    8.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0143    7.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1560    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8028    2.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642    5.4265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    5.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    2.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092    6.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275    5.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    7.0183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    5.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    2.2935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    4.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  1  0  0  0  0
  3 42  1  0  0  0  0
  4 17  2  0  0  0  0
  5 21  1  0  0  0  0
  5 46  1  0  0  0  0
  6 24  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006906-3D
FYIcenter.com

 53 56  0     0  0  0  0  0  0999 V2000
    5.0333   -0.1898    0.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    2.3896    0.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8159    2.4394    0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322   -1.6021   -0.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   -1.5294   -0.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5392    2.7551   -0.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2195   -1.5383   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -2.4344    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7263   -1.9187   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6049   -0.4256    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    0.3304    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686    0.2551   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3982   -1.5386   -1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259   -2.0254    0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3088    1.6397    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    1.7103    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -0.4239   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    2.3616    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    0.3870   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296    1.7500   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824   -0.1951   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5297    0.5984   -0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    2.5418   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290    1.9655   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8723   -0.0130   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5372   -0.4944    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9016   -1.7511    0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5635   -2.1627    2.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6648   -2.8815   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0465   -2.4406    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2143   -3.4723    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512   -2.4290    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932   -2.1780   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5684   -2.5506   -1.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -1.1179   -2.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2507   -0.9123   -1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650   -3.0521    0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3653   -1.3784    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4609   -1.9856    1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.4359    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    3.6086    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5779    1.8344    0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5450    0.7043   -1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793   -0.7842   -1.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7484    0.2832    1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809   -1.9925   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3252    2.2344   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7282   -1.3052    2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5368   -2.6212    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9402   -2.8842    2.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0488   -2.6507   -1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1592   -3.7048    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6254   -3.2581   -0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  1  0  0  0  0
  3 42  1  0  0  0  0
  4 17  2  0  0  0  0
  5 21  1  0  0  0  0
  5 46  1  0  0  0  0
  6 24  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  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
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1734👍, 0💬