(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyl-4-tricyclo[5.3.1.03,8]undecanyl]methoxy]oxane-2-carboxylic acid
- InChIKey: SOAWPLUCMRWYQW-WFOPRKHUSA-N
- InChI: InChI=1S/C21H34O8/c1-19(2)11-5-6-20(3)12(8-11)10(4-7-21(19,20)27)9-28-18-15(24)13(22)14(23)16(29-18)17(25)26/h10-16,18,22-24,27H,4-9H2,1-3H3,(H,25,26)/t10-,11-,12+,13+,14+,15-,16+,18?,20+,21-/m1/s1
- SMILES: C[C@]12CC[C@@H]3C[C@H]1[C@H](CC[C@]2(C3(C)C)O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
- Exact Mass: 414.22537
- Molecular Formula: C21H34O8
-
Compound CID:
154699961
154699961
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.