Molecule FYI-1001091

A

Molecule Summary:

ID: FYI-1001091
SMILES: CO/N=C\\1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)/C[C@@H](C)/C=C/C=C/4\\CO[C@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)O[C@@H]([C@H]1C)/C(=C/C(C)C)/C

Received at FYIcenter.com on: 2021-12-18

Molecule ID: FYI-1001091 Edit

Molecule Structure SMILES String: CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(C)/C[C@@H](C)/C=C/C=C/4CO[C@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)O[C@@H]([C@H]1C)/C(=C/C(C)C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001091
FYIcenter.com

 46 50  0  0  1  0  0  0  0  0999 V2000
    9.6319   14.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280   13.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280   12.0596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240   11.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    9.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    9.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    8.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    6.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    5.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    4.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    4.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    3.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    2.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2389    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9386    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0633    1.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0839    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9592    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890    3.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    4.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276    5.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    5.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5438    2.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3398    2.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3539    3.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    8.5839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    9.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160   11.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199   12.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199   13.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   12.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   11.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040   12.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040   13.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   13.4498    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  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  6  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  6  0  0  0
 25 24  1  0  0  0  0
 25 26  1  1  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  1  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 32  8  1  0  0  0  0
 33 29  1  0  0  0  0
 33 21  1  0  0  0  0
 33 24  1  0  0  0  0
 33 34  1  6  0  0  0
 35 27  1  0  0  0  0
 10 36  1  6  0  0  0
 36  6  1  0  0  0  0
 37  6  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39  4  1  0  0  0  0
 39 40  1  1  0  0  0
 38 41  1  6  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
 46 41  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-04-13, 2709👍, 0💬