(2s,3s,4s,5r)-6-[[(1r,3r,6s,7s,8s)-6-carboxy-2,2,8-trimethyl-3-tricyclo[5.3.1.03,8]undecanyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[[(1R,3R,6S,7S,8S)-6-carboxy-2,2,8-trimethyl-3-tricyclo[5.3.1.03,8]undecanyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: LYYZJNLOBSHXDV-BNMQTBAUSA-N
- InChI: InChI=1S/C21H32O9/c1-19(2)9-4-6-20(3)11(8-9)10(16(25)26)5-7-21(19,20)30-18-14(24)12(22)13(23)15(29-18)17(27)28/h9-15,18,22-24H,4-8H2,1-3H3,(H,25,26)(H,27,28)/t9-,10+,11+,12+,13+,14-,15+,18?,20+,21-/m1/s1
- SMILES: C[C@]12CC[C@@H]3C[C@H]1[C@H](CC[C@]2(C3(C)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(=O)O
- Exact Mass: 428.20463
- Molecular Formula: C21H32O9
-
Compound CID:
154699780
154699780
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.