EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193866 - 2-hydroxy-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid

ChEBI IDCHEBI:193866
ChEBI Name2-hydroxy-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O8S
Net Charge0
Average Mass292.265
Monoisotopic Mass292.02529
SMILESCOc1cc(CC(O)C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C10H12O8S/c1-17-9-5-6(4-7(11)10(12)13)2-3-8(9)18-19(14,15)16/h2-3,5,7,11H,4H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyYASQBPMWYKAZSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid (CHEBI:193866) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-hydroxy-3-(3-methoxy-4-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
35775948ChemSpider