Molecule FYI-1003556

A

Molecule Summary:

ID: FYI-1003556
Names:
InChIKey: TXIWHUPIUUZFFK-BNCRKQPCSA-M
SMILES: CC[C@@H]3[C@H](O)[C@H]2[C@H]1CC[C@@H]([C@@H](C)CCOS(=O)(=O)O[Na])[C@@]1(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]34

Received at FYIcenter.com on: 2023-07-02

Molecule ID: FYI-1003556 Edit

Molecule Structure InChIKey: TXIWHUPIUUZFFK-BNCRKQPCSA-M

Molecule Structure SMILES String: CC[C@@H]3[C@H](O)[C@H]2[C@H]1CC[C@@H]([C@@H](C)CCOS(=O)(=O)O[Na])[C@@]1(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003556
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4871   10.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3386    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3386    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    5.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9114    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1094    3.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9829    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9197    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7850    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7218    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0912    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0280    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5238    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5870    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6502    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2808    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7767    7.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6983    8.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 11  1  0  0  0  0
 32 14  1  0  0  0  0
 29 15  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-07-11, 1459👍, 0💬