(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-2-carboxylic acid
- InChIKey: PCJUMVMSWWTDAT-ONOLNTSHSA-N
- InChI: InChI=1S/C22H20O11/c23-16-17(24)20(21(26)27)33-22(18(16)25)31-8-1-2-9-12(3-8)28-6-11-10-4-14-15(30-7-29-14)5-13(10)32-19(9)11/h1-5,11,16-20,22-25H,6-7H2,(H,26,27)/t11-,16-,17-,18+,19-,20-,22?/m0/s1
- SMILES: C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC5=CC6=C(C=C25)OCO6
- Exact Mass: 460.10056
- Molecular Formula: C22H20O11
-
Compound CID:
154699870
154699870
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.
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.