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CHEBI:233677 - methyl vanillate sulfate

ChEBI IDCHEBI:233677
ChEBI Namemethyl vanillate sulfate
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Submittermwilliams
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FormulaC9H10O7S
Net Charge0
Average Mass262.239
Monoisotopic Mass262.01472
SMILESCOC(=O)c1ccc(OS(=O)(=O)O)c(OC)c1
InChIInChI=1S/C9H10O7S/c1-14-8-5-6(9(10)15-2)3-4-7(8)16-17(11,12)13/h3-5H,1-2H3,(H,11,12,13)
InChIKeyIWRNHPTWPBSQSA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
methyl vanillate sulfate (CHEBI:233677) is a acetate ester (CHEBI:47622)
methyl vanillate sulfate (CHEBI:233677) is a aryl sulfate (CHEBI:37919)
methyl vanillate sulfate (CHEBI:233677) is a methoxybenzoic acid (CHEBI:25238)