Sinapinic acid-O-sulphate (CHEBI:89552)

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CHEBI:89552 - Sinapinic acid-O-sulphate

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ChEBI ID	CHEBI:89552
ChEBI Name	Sinapinic acid-O-sulphate
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Downloads	Molfile

Formula	C11H12O8S
Net Charge	0
Average Mass	304.276
Monoisotopic Mass	304.02529
SMILES	COc1cc(/C=C/C(=O)OS(=O)(=O)O)cc(OC)c1O
InChI	InChI=1S/C11H12O8S/c1-17-8-5-7(6-9(18-2)11(8)13)3-4-10(12)19-20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)/b4-3+
InChIKey	LAHUBJBDDCZJTK-ONEGZZNKSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (22827565)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sinapinic acid-O-sulphate (CHEBI:89552) is a hydroxycinnamic acid (CHEBI:24689)

Synonym	Source
sulfo (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate	HMDB

Manual Xrefs	Databases
HMDB0060020	HMDB

Citations