Main compound image
(2s,3s,4s,5r)-3,4,5-trihydroxy-6-(6-hydroxy-4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid
  • Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(6-hydroxy-4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid
  • InChIKey: XXGVDEMWFANIBW-MBIBTLSJSA-N
  • InChI: InChI=1S/C21H18O10/c22-10-6-7-12-11(8-10)13(23)18(17(29-12)9-4-2-1-3-5-9)30-21-16(26)14(24)15(25)19(31-21)20(27)28/h1-8,14-16,19,21-22,24-26H,(H,27,28)/t14-,15-,16+,19-,21?/m0/s1
  • SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
  • Exact Mass: 430.09000
  • Molecular Formula: C21H18O10
  • Compound CID: pubchemlite154700096 pubchem154700096
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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