(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(7-(4-hydroxyphenyl)-8-oxo-8h-[1,3]dioxolo[4,5-g]chromen-9-yloxy)tetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[7-(4-hydroxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]chromen-9-yl]oxy]oxane-2-carboxylic acid
- InChIKey: PFDLVUAOSRYYLT-NTKSAMNMSA-N
- InChI: InChI=1S/C22H18O12/c23-9-3-1-8(2-4-9)10-6-30-11-5-12-18(32-7-31-12)19(13(11)14(10)24)33-22-17(27)15(25)16(26)20(34-22)21(28)29/h1-6,15-17,20,22-23,25-27H,7H2,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1
- SMILES: C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 474.07983
- Molecular Formula: C22H18O12
-
Compound CID:
118753316
118753316
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.