5-hydroxy-6-methoxyduloxetine-glucuronide
- Other Name: 5-Hydroxy-6-methoxyduloxetine-glucuronide
- InChIKey: YAGXEFDTWYZUEO-SJAIVRKUSA-N
- InChI: InChI=1S/C25H29NO9S/c1-26-11-10-16(18-7-4-12-36-18)33-15-6-3-5-14-13(15)8-9-17(32-2)22(14)34-25-21(29)19(27)20(28)23(35-25)24(30)31/h3-9,12,16,19-21,23,25-29H,10-11H2,1-2H3,(H,30,31)/t16-,19-,20-,21+,23-,25?/m0/s1
- SMILES: CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC
- Exact Mass: 519.15630
- Molecular Formula: C25H29NO9S
-
Compound CID:
169502236
169502236
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.