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CHEBI:193868 - 3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]propanoic acid

ChEBI IDCHEBI:193868
ChEBI Name3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O8S
Net Charge0
Average Mass292.265
Monoisotopic Mass292.02529
SMILESCOc1cc(CCC(=O)O)cc(O)c1OS(=O)(=O)O
InChIInChI=1S/C10H12O8S/c1-17-8-5-6(2-3-9(12)13)4-7(11)10(8)18-19(14,15)16/h4-5,11H,2-3H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyKYJOEKJBCMVPOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]propanoic acid (CHEBI:193868) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
3-(3-hydroxy-5-methoxy-4-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
74852090ChemSpider