Main compound image
7,8-Dihydroxy-9,10-epoxy-benzo[a]pyrene
  • InChIKey: DDBQMRHLXNECKQ-UHFFFAOYSA-N
  • InChI: InChI=1S/C20H10O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,21-22H
  • SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6=C(O6)C(=C5O)O)C=C2
  • Exact Mass: 298.06299
  • Molecular Formula: C20H10O3
  • Compound CID: pubchemlite152023 pubchem152023
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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