(2s,3s,4s,5r)-6-[4-(3,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[4-(3,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: RKQLEENPCJRZQG-WQUGZTNDSA-N
- InChI: InChI=1S/C21H18O11/c22-9-3-6-11-12(7-9)31-18(15(25)13(11)23)8-1-4-10(5-2-8)30-21-17(27)14(24)16(26)19(32-21)20(28)29/h1-7,14,16-17,19,21-22,24-27H,(H,28,29)/t14-,16-,17+,19-,21?/m0/s1
- SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 446.08491
- Molecular Formula: C21H18O11
-
Compound CID:
154699927
154699927
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.