Molecule FYI-1013545

A

Molecule Summary:

ID: FYI-1013545
Names:
InChIKey: CYOAUNRGOGAEHF-POHDVVIQSA-N
SMILES: CC(=O)O[C@H]8C=CCC7=CC[C@@H]1[C@H](CC[C@@]3(O)C(=O)O[C@@]2(C)[C@H]6C[C@]4(C)[C@@H](CO[C@]15O[C@@]23[C@H]4C5=O)C(=O)O6)[C@]78C

Received at FYIcenter.com on: 2025-01-04

Molecule ID: FYI-1013545 Edit

Molecule Structure InChIKey: CYOAUNRGOGAEHF-POHDVVIQSA-N

Molecule Structure SMILES String: CC(=O)O[C@H]8C=CCC7=CC[C@@H]1[C@H](CC[C@@]3(O)C(=O)O[C@@]2(C)[C@H]6C[C@]4(C)[C@@H](CO[C@]15O[C@@]23[C@H]4C5=O)C(=O)O6)[C@]78C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013545
FYIcenter.com

 40 47  0  0  1  0  0  0  0  0999 V2000
    8.4830    2.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3267    2.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3267    0.6676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703    2.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    2.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    0.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    0.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    2.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    2.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    4.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    4.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578    4.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475    4.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8151    5.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1415    6.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    6.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2374    7.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4986    7.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508    8.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    8.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    9.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   10.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182   10.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    9.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    8.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    9.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4359    7.0434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041    6.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    6.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775    7.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    8.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    8.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   11.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087   12.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826   11.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8578    2.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    3.3379    0.0000 C   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  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 12  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  1  0  0  0
 32 16  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  1  0  0  0  0
 33 25  1  0  0  0  0
 33 34  1  1  0  0  0
 30 34  1  1  0  0  0
 35 34  2  0  0  0  0
 36 27  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 23 38  1  1  0  0  0
 39 13  1  0  0  0  0
 39  9  1  0  0  0  0
 39  5  1  0  0  0  0
 39 40  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2025-02-16, 1194👍, 0💬