Hesperaline (CHEBI:174538)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Hesperaline

ChEBI ID	CHEBI:174538

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22NO4

Net Charge

Average Mass

268.332

Monoisotopic Mass

268.15433

InChI

InChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1

InChIKey

IXSHJXHXZYUCPK-UHFFFAOYSA-N

SMILES

O(CC[N+](C)(C)C)C(=O)C1=CC(OC)=C(OC)C=C1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Hesperaline (CHEBI:174538) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

2-(3,4-dimethoxybenzoyl)oxyethyl-trimethylazanium