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CHEBI:169179 - [(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid

ChEBI IDCHEBI:169179
ChEBI Name[(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8O7S
Net Charge0
Average Mass272.234
Monoisotopic Mass271.99907
SMILESO=c1oc(COS(=O)(=O)O)cc2ccc(O)cc12
InChIInChI=1S/C10H8O7S/c11-7-2-1-6-3-8(5-16-18(13,14)15)17-10(12)9(6)4-7/h1-4,11H,5H2,(H,13,14,15)
InChIKeyJHKOBOYRVHYLND-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)
[(7-hydroxy-1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid (CHEBI:169179) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(7-hydroxy-1-oxoisochromen-3-yl)methyl hydrogen sulate
Manual XrefsDatabases
HMDB0128634HMDB
74852285ChemSpider