Main compound image
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-(5-hydroxy-7-(2-hydroxyethoxy)-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-methoxyphenoxy)tetrahydro-2H-pyran-2-carboxylic acid
  • Other Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-[5-hydroxy-7-(2-hydroxyethoxy)-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-methoxyphenoxy]oxane-2-carboxylic acid
  • InChIKey: RZJFQSHKRKMXIE-DGHKUZIUSA-N
  • InChI: InChI=1S/C36H44O23/c1-11-20(39)23(42)27(46)34(54-11)53-10-18-21(40)24(43)28(47)36(57-18)58-31-22(41)19-14(38)8-13(52-6-5-37)9-17(19)55-30(31)12-3-4-15(51-2)16(7-12)56-35-29(48)25(44)26(45)32(59-35)33(49)50/h3-4,7-9,11,18,20-21,23-29,32,34-40,42-48H,5-6,10H2,1-2H3,(H,49,50)/t11-,18+,20-,21+,23+,24-,25-,26-,27+,28+,29+,32-,34+,35+,36-/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)OCCO)C5=CC(=C(C=C5)OC)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: 844.22734
  • Molecular Formula: C36H44O23
  • Compound CID: pubchemlite118753208 pubchem118753208
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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