3,5-dimethoxy-4-(sulfooxy)benzoic acid (CHEBI:193851)

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CHEBI:193851 - 3,5-dimethoxy-4-(sulfooxy)benzoic acid

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ChEBI ID	CHEBI:193851
ChEBI Name	3,5-dimethoxy-4-(sulfooxy)benzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H10O8S
Net Charge	0
Average Mass	278.238
Monoisotopic Mass	278.00964
SMILES	COc1cc(C(=O)O)cc(OC)c1OS(=O)(=O)O
InChI	InChI=1S/C9H10O8S/c1-15-6-3-5(9(10)11)4-7(16-2)8(6)17-18(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14)
InChIKey	RUXRRHGJTRVOSL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
synthetic microbial community (ncbitaxon:3229850)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3129)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,5-dimethoxy-4-(sulfooxy)benzoic acid (CHEBI:193851) is a trihydroxybenzoic acid (CHEBI:27115)

IUPAC Name
3,5-dimethoxy-4-sulooxybenzoic acid

Manual Xrefs	Databases
74852924	ChemSpider