(2s,3s,4s,5r)-6-[2-(2-chlorophenyl)-5-hydroxy-8-[(3s,4r)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-6-[2-(2-chlorophenyl)-5-hydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: SYNNBRRQNWDVQW-CAZZKBMBSA-N
- InChI: InChI=1S/C27H28ClNO11/c1-29-7-6-12(16(32)10-29)19-18(39-27-23(35)21(33)22(34)25(40-27)26(36)37)9-15(31)20-14(30)8-17(38-24(19)20)11-4-2-3-5-13(11)28/h2-5,8-9,12,16,21-23,25,27,31-35H,6-7,10H2,1H3,(H,36,37)/t12-,16+,21-,22-,23+,25-,27?/m0/s1
- SMILES: CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
- Exact Mass: 577.13509
- Molecular Formula: C27H28ClNO11
-
Compound CID:
154699975
154699975
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.