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CHEBI:193865 - {[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}sulfonic acid

ChEBI IDCHEBI:193865
ChEBI Name{[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O8S
Net Charge0
Average Mass292.265
Monoisotopic Mass292.02529
SMILESCOC(=O)C(Cc1ccc(O)c(O)c1)OS(=O)(=O)O
InChIInChI=1S/C10H12O8S/c1-17-10(13)9(18-19(14,15)16)5-6-2-3-7(11)8(12)4-6/h2-4,9,11-12H,5H2,1H3,(H,14,15,16)
InChIKeySIOJWLLTRORSNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
{[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}sulfonic acid (CHEBI:193865) is a catechols (CHEBI:33566)
IUPAC Name 
methyl 3-(3,4-dihydroxyphenyl)-2-sulooxypropanoate
Manual XrefsDatabases
74851569ChemSpider