Molecule FYI-1007087

A

Molecule Summary:

ID: FYI-1007087
Names:
InChIKey: XTPQLZKIJPSEGN-GAKXDJLYSA-N
SMILES: CC4=C[C@H]3C[C@H]2[C@H](C=C1C[C@@H](O)CC[C@H]1[C@@H]2C)CC[C@H]3C[C@]46O[C@@H]5C[C@@H](C)CN[C@@H]5[C@@H]6C

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007087 Edit

Molecule Structure InChIKey: XTPQLZKIJPSEGN-GAKXDJLYSA-N

Molecule Structure SMILES String: CC4=C[C@H]3C[C@H]2[C@H](C=C1C[C@@H](O)CC[C@H]1[C@@H]2C)CC[C@H]3C[C@]46O[C@@H]5C[C@@H](C)CN[C@@H]5[C@@H]6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007087
FYIcenter.com

 32 37  0  0  1  0  0  0  0  0999 V2000
    2.6566   17.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   16.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   15.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   13.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   13.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   11.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   12.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510   10.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    9.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    8.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228   11.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633   12.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    7.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8475    6.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601    6.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481    7.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    4.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    3.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    3.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911    5.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293    2.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   14.5428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   15.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  6  0  0  0
 17 16  1  0  0  0  0
 17 18  1  6  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  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
 23 16  1  0  0  0  0
 23 24  1  1  0  0  0
 22 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  6  0  0  0
  6 30  1  1  0  0  0
  5 31  1  1  0  0  0
 32 31  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-02-11, 538👍, 0💬