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CHEBI:169128 - 2-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid

ChEBI IDCHEBI:169128
ChEBI Name2-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O8S
Net Charge0
Average Mass278.238
Monoisotopic Mass278.00964
SMILESO=C(O)C(O)Cc1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C9H10O8S/c10-6-2-1-5(3-7(11)9(12)13)4-8(6)17-18(14,15)16/h1-2,4,7,10-11H,3H2,(H,12,13)(H,14,15,16)
InChIKeyWFPAKFYGSNYIII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid (CHEBI:169128) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-hydroxy-3-(4-hydroxy-3-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0124971HMDB
74851572ChemSpider