chembl4525750
- Other Name: (2R,3R)-3-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-methylidene-3,5-dihydroinden-1-one
- InChIKey: JCYWNWUXVVIBHJ-VOORTSMOSA-N
- InChI: InChI=1S/C14H18O3/c1-7-5-10-11(9(3)8(7)2)13(17)14(4,6-15)12(10)16/h5,7,12,15-16H,2,6H2,1,3-4H3/t7?,12-,14-/m1/s1
- SMILES: CC1C=C2[C@H]([C@@](C(=O)C2=C(C1=C)C)(C)CO)O
- Exact Mass: 234.12559
- Molecular Formula: C14H18O3
-
Compound CID:
155543692
155543692
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.