4-(2′R,4′-dihydroxybutoxy)benzoic acid (CHEBI:218569)

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CHEBI:218569 - 4-(2′R,4′-dihydroxybutoxy)benzoic acid

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ChEBI ID	CHEBI:218569
ChEBI Name	4-(2′R,4′-dihydroxybutoxy)benzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H14O5
Net Charge	0
Average Mass	226.228
Monoisotopic Mass	226.08412
SMILES	O=C(O)c1ccc(OC[C@H](O)CCO)cc1
InChI	InChI=1S/C11H14O5/c12-6-5-9(13)7-16-10-3-1-8(2-4-10)11(14)15/h1-4,9,12-13H,5-7H2,(H,14,15)/t9-/m1/s1
InChIKey	PHFKAOOIRVZKGJ-SECBINFHSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies R22 (ncbitaxon:1856372)	-	PubMed (28395521)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4-(2′R,4′-dihydroxybutoxy)benzoic acid (CHEBI:218569) is a benzoic acids (CHEBI:22723)

IUPAC Name
4-[(2R)-2,4-dihydroxybutoxy]benzoic acid

Manual Xrefs	Databases
78439434	ChemSpider