(2s,3s,4s,5r)-6-[2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: CUPVOBUYMCVRQB-GWQNJANKSA-N
- InChI: InChI=1S/C23H22O10/c1-9-6-7-13-15(25)12-5-3-4-11(20(12)32-19(13)10(9)2)8-14(24)31-23-18(28)16(26)17(27)21(33-23)22(29)30/h3-7,16-18,21,23,26-28H,8H2,1-2H3,(H,29,30)/t16-,17-,18+,21-,23?/m0/s1
- SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C
- Exact Mass: 458.12130
- Molecular Formula: C23H22O10
-
Compound CID:
154699536
154699536
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.