Main compound image
(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[[(1s,5s)-2-methyl-3-oxo-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]oxy]oxane-2-carboxylic acid
  • Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(1S,5S)-2-methyl-3-oxo-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]oxy]oxane-2-carboxylic acid
  • InChIKey: BMPWRVNLYWBHGK-ZNJAXHRXSA-N
  • InChI: InChI=1S/C16H24O8/c1-6(2)16-4-7(16)15(3,8(17)5-16)24-14-11(20)9(18)10(19)12(23-14)13(21)22/h6-7,9-12,14,18-20H,4-5H2,1-3H3,(H,21,22)/t7-,9+,10+,11-,12+,14?,15?,16+/m1/s1
  • SMILES: CC(C)[C@@]12C[C@@H]1C(C(=O)C2)(C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
  • Exact Mass: 344.14712
  • Molecular Formula: C16H24O8
  • Compound CID: pubchemlite154699511 pubchem154699511
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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