Molecule FYI-1001266

Home > Molecule

A

Molecule Summary:

ID: FYI-1001266
SMILES: CO[C@H]1C=C(OC)C(=O)c2c1oc1c2oc2c(c1=O)c(OC)c(c(c2OC)OC)OC

Received at FYIcenter.com on: 2022-04-21

Molecule ID: FYI-1001266 Edit

Molecule Structure SMILES String: CO[C@H]1C=C(OC)C(=O)c2c1oc1c2oc2c(c1=O)c(OC)c(c(c2OC)OC)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001266
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
   12.2824    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0699    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4326    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4326    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3541    6.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9616    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    4.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    6.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    7.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    7.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    8.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    8.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    9.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   10.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    8.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    7.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    6.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    9.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    9.3745    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  1  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 23  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001266-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    3.3987   -0.3711    2.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    0.8653    2.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7975    1.1434    0.6741 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0345    2.4275    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165    3.6505    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941    4.8370    0.4275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    4.7921    0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1721    3.8025    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205    4.8902    0.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.5589    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2049    1.3646    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9311    0.3349   -0.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710    0.8305   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2533    2.1360    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4947    2.6794    0.3706 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714    1.8118    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4741    0.9369   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.0539   -0.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3041   -1.1687   -0.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6262    0.2704   -1.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571    0.3098   -2.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204    1.3747   -3.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3393   -0.3318   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0842    0.1492    0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    1.4551    1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0186    2.3125    1.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6290    3.4428    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2634   -0.6444    2.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547   -0.5800    3.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2455   -1.2732   -0.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9976   -1.9608    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861   -0.4386    3.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454   -0.4281    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -1.2069    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3148    0.3394    0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    2.2976    0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030    5.7996    0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    4.4748    1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737    4.1420    0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5867    1.9826   -3.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9788    2.0575   -3.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2973    0.9298   -4.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749    3.1786    0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3548    3.9013    2.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583    4.1845    1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7723   -0.6838    4.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465   -1.4182    3.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6777    0.3488    3.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9699   -2.2095   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4903   -2.8957    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2141   -1.3746    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3  2  1  0  0  0  0
  3 35  1  6  0  0  0
  4  5  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  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 29  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 658👍, 0💬