(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-(9-methoxy-8-oxo-8h-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy)tetrahydro-2h-pyran-2-carboxylic acid
- Other Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxane-2-carboxylic acid
- InChIKey: FESPZFPAJCTMLG-USFRMQJTSA-N
- InChI: InChI=1S/C23H20O12/c1-30-20-14-12(6-13-19(20)33-8-32-13)31-7-11(15(14)24)9-2-4-10(5-3-9)34-23-18(27)16(25)17(26)21(35-23)22(28)29/h2-7,16-18,21,23,25-27H,8H2,1H3,(H,28,29)/t16-,17-,18+,21-,23+/m0/s1
- SMILES: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 488.09548
- Molecular Formula: C23H20O12
-
Compound CID:
118753161
118753161
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.