CATECHOL INTERMEDIATE
- Other Name: 1,2-Benzenediol, 4-(((3S,4R)-4-(4-fluorophenyl)-3-piperidinyl)methoxy)-
- InChIKey: VJMXXTJAPJRAQL-BBRMVZONSA-N
- InChI: InChI=1S/C18H20FNO3/c19-14-3-1-12(2-4-14)16-7-8-20-10-13(16)11-23-15-5-6-17(21)18(22)9-15/h1-6,9,13,16,20-22H,7-8,10-11H2/t13-,16-/m0/s1
- SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC(=C(C=C3)O)O
- Exact Mass: 317.14272
- Molecular Formula: C18H20FNO3
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Compound CID:
59215182
59215182
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.