Main compound image
(2S,3S,4S,5R,6S)-6-(5-(7-(carboxymethoxy)-5-hydroxy-4-oxo-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-2-yl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • Other Name: (2S,3S,4S,5R,6S)-6-[5-[7-(carboxymethoxy)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • InChIKey: QBUGPYABTRQMRD-DIQQDIDOSA-N
  • InChI: InChI=1S/C35H40O24/c1-9-19(40)22(43)26(47)33(54-9)53-7-16-20(41)23(44)27(48)35(57-16)58-30-21(42)18-13(37)5-11(52-8-17(38)39)6-15(18)55-29(30)10-2-3-12(36)14(4-10)56-34-28(49)24(45)25(46)31(59-34)32(50)51/h2-6,9,16,19-20,22-28,31,33-37,40-41,43-49H,7-8H2,1H3,(H,38,39)(H,50,51)/t9-,16+,19-,20+,22+,23-,24-,25-,26+,27+,28+,31-,33+,34+,35-/m0/s1
  • SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCC(=O)O)C5=CC(=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O)O)O)O)O)O
  • Exact Mass: 844.19095
  • Molecular Formula: C35H40O24
  • Compound CID: pubchemlite118753133 pubchem118753133
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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