4-methoxy-3-(sulfooxy)benzoic acid (CHEBI:176483)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176483 - 4-methoxy-3-(sulfooxy)benzoic acid

Take structure to advanced search

ChEBI ID	CHEBI:176483
ChEBI Name	4-methoxy-3-(sulfooxy)benzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H8O7S
Net Charge	0
Average Mass	248.212
Monoisotopic Mass	247.99907
SMILES	COc1ccc(C(=O)O)cc1OS(=O)(=O)O
InChI	InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKey	VSFFJSSUGMYRMP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS2295)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4-methoxy-3-(sulfooxy)benzoic acid (CHEBI:176483) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
4-methoxy-3-sulooxybenzoic acid

Manual Xrefs	Databases
HMDB0140929	HMDB
74854161	ChemSpider