Molecule FYI-1000353

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A

Molecule Summary:

ID: FYI-1000353
SMILES: Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@@H](O2)CO)O

Received at FYIcenter.com on: 2021-04-07

Molecule ID: FYI-1000353 Edit

Molecule Structure SMILES String: Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@@H](O2)CO)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000353
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    7.8642    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9025    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    3.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    2.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    1.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    5.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    8.7382    0.0000 O   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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  1  0  0  0
 16 15  1  0  0  0  0
 12 17  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000353-3D
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    1.1583    0.3758    1.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.2896    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788    1.3256    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6053    1.2037   -0.1844 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -0.0260   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -0.1722   -1.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -1.1002   -0.3831 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -1.0313    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -1.9951    0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3629    2.3663   -0.6394 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9674    2.7802   -2.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    4.1390   -1.8786 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0324    4.6789   -0.6408 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1838    3.5168    0.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3988    5.2901   -0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345    5.8100    0.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    3.9744   -1.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348    1.3750    1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295   -0.3384    1.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    0.1470    0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    2.3149    0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427   -1.9792   -0.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    2.1179   -0.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3096    2.0572   -2.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8770    2.8686   -2.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4419    4.7777   -2.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    5.4046   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0811    4.5591   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    6.1165   -1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1687    5.0604    0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    3.9676   -0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  6  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  1  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-10-10, 3278👍, 0💬