Main compound image
4p-hydroxychalcone, 4p-hydroxy-glucuronide
  • Other Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
  • InChIKey: MQZCUJOHTHEMJF-BDQQXEQVSA-N
  • InChI: InChI=1S/C21H20O8/c22-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)28-21-18(25)16(23)17(24)19(29-21)20(26)27/h1-11,16-19,21,23-25H,(H,26,27)/b11-6+/t16-,17-,18+,19-,21+/m0/s1
  • SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
  • Exact Mass: 400.11582
  • Molecular Formula: C21H20O8
  • Compound CID: pubchemlite154699800 pubchem154699800
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.
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.

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