(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-1H-inden-5-yl]acetyl]oxyoxane-2-carboxylic acid
- InChIKey: VJELVKOMLXCFNW-OBEJHBQOSA-N
- InChI: InChI=1S/C21H26O10/c1-8-4-10-6-21(3,7-22)18(27)13(10)9(2)11(8)5-12(23)30-20-16(26)14(24)15(25)17(31-20)19(28)29/h4,14-17,20,22,24-26H,5-7H2,1-3H3,(H,28,29)/t14-,15-,16+,17-,20+,21-/m0/s1
- SMILES: CC1=CC2=C(C(=C1CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C)C(=O)[C@](C2)(C)CO
- Exact Mass: 438.15260
- Molecular Formula: C21H26O10
-
Compound CID:
118753001
118753001
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.