2-[(2,2-dimethylbut-3-enoyl)amino]benzoic acid (CHEBI:214938)

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CHEBI:214938 - 2-[(2,2-dimethylbut-3-enoyl)amino]benzoic acid

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ChEBI ID	CHEBI:214938
ChEBI Name	2-[(2,2-dimethylbut-3-enoyl)amino]benzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H15NO3
Net Charge	0
Average Mass	233.267
Monoisotopic Mass	233.10519
SMILES	C=CC(C)(C)C(=O)Nc1ccccc1C(=O)O
InChI	InChI=1S/C13H15NO3/c1-4-13(2,3)12(17)14-10-8-6-5-7-9(10)11(15)16/h4-8H,1H2,2-3H3,(H,14,17)(H,15,16)
InChIKey	HYTASTDPBZOUKV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Eurotium (ncbitaxon:28569)	-	PubMed (28586721)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-[(2,2-dimethylbut-3-enoyl)amino]benzoic acid (CHEBI:214938) is a benzoic acids (CHEBI:22723)

IUPAC Name
2-(2,2-dimethylbut-3-enoylamino)benzoic acid

Manual Xrefs	Databases
63002622	ChemSpider