Molecule FYI-1005928

A

Molecule Summary:

ID: FYI-1005928
Names:
InChIKey: LMJQCTISQYSLPF-VBDRPKAPSA-M
SMILES: C[C@]34CC[C@H]2c1ccc(OS(=O)(=O)[O-])cc1CC[C@H]2[C@@H]3CC[C@H]4O.[Na+]

Received at FYIcenter.com on: 2023-11-21

Molecule ID: FYI-1005928 Edit

Molecule Structure InChIKey: LMJQCTISQYSLPF-VBDRPKAPSA-M

Molecule Structure SMILES String: C[C@]34CC[C@H]2c1ccc(OS(=O)(=O)[O-])cc1CC[C@H]2[C@@H]3CC[C@H]4O.[Na+]

Download SDF Download SVG Structure in 2D SDF:

FYI-1005928
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   12.9584    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3448    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7440    1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6058    0.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1298    2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692    3.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660    2.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4873    2.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4449    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0083    4.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6296    4.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7297    3.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2086    1.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300    1.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511    2.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723    2.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    1.6444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.5444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    0.5720    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2449    0.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    3.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874    1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0662    0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5720    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  6  0  0  0
  7  2  1  0  0  0  0
  9  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9 24  1  0  0  0  0
  8 10  1  1  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 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22 16  2  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 23  8  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-25, 1028👍, 0💬