(s)-methyl 2-(2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1h-inden-5-yl)acetate
- Other Name: methyl 2-[(2S)-2-(hydroxymethyl)-2,4,6-trimethyl-3-oxo-1H-inden-5-yl]acetate
- InChIKey: VKOJSARKGQGQBZ-INIZCTEOSA-N
- InChI: InChI=1S/C16H20O4/c1-9-5-11-7-16(3,8-17)15(19)14(11)10(2)12(9)6-13(18)20-4/h5,17H,6-8H2,1-4H3/t16-/m0/s1
- SMILES: CC1=CC2=C(C(=C1CC(=O)OC)C)C(=O)[C@](C2)(C)CO
- Exact Mass: 276.13616
- Molecular Formula: C16H20O4
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Compound CID:
118753066
118753066
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.