(2s,3s,4s,5r)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-1-oxo-2,3-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-1-oxo-2,3-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: HJVSDNWYXFSKGL-XUCPCBLWSA-N
- InChI: InChI=1S/C28H33NO9/c30-20-13-19-17(12-21(20)37-28-25(34)23(32)24(33)26(38-28)27(35)36)11-18(22(19)31)10-15-6-8-29(9-7-15)14-16-4-2-1-3-5-16/h1-5,12-13,15,18,23-26,28,30,32-34H,6-11,14H2,(H,35,36)/t18?,23-,24-,25+,26-,28?/m0/s1
- SMILES: C1CN(CCC1CC2CC3=CC(=C(C=C3C2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC5=CC=CC=C5
- Exact Mass: 527.21553
- Molecular Formula: C28H33NO9
-
Compound CID:
154699642
154699642
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.