(1s)-1-(formylcarbamoyl)-2-(4-{[(2s)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)ethane-1-sulfinic acid
- Other Name: (2S)-1-formamido-3-[4-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]-1-oxopropane-2-sulfinic acid
- InChIKey: XIINUBVMVMENJH-RDPSFJRHSA-N
- InChI: InChI=1S/C24H29NO7S/c1-14-15(2)22-19(16(3)21(14)27)9-10-24(4,32-22)12-31-18-7-5-17(6-8-18)11-20(33(29)30)23(28)25-13-26/h5-8,13,20,27H,9-12H2,1-4H3,(H,29,30)(H,25,26,28)/t20-,24-/m0/s1
- SMILES: CC1=C(C2=C(CC[C@@](O2)(C)COC3=CC=C(C=C3)C[C@@H](C(=O)NC=O)S(=O)O)C(=C1O)C)C
- Exact Mass: 475.16647
- Molecular Formula: C24H29NO7S
-
Compound CID:
154700084
154700084
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.