alpha-thujone, 4-o-glucuronide
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S)-4-hydroxy-4-methyl-3-oxo-1-propan-2-yl-2-bicyclo[3.1.0]hexanyl]oxy]oxane-2-carboxylic acid
- InChIKey: UILIWLYYTHIBJT-BSVWXJLRSA-N
- InChI: InChI=1S/C16H24O9/c1-5(2)16-4-6(16)15(3,23)11(20)12(16)25-14-9(19)7(17)8(18)10(24-14)13(21)22/h5-10,12,14,17-19,23H,4H2,1-3H3,(H,21,22)/t6-,7+,8+,9-,10+,12-,14?,15+,16+/m1/s1
- SMILES: CC(C)[C@@]12C[C@@H]1[C@](C(=O)[C@H]2OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)(C)O
- Exact Mass: 360.14203
- Molecular Formula: C16H24O9
-
Compound CID:
154699989
154699989
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.