2-{2-[4-(tert-butyl)phenyl]-4-hydroxy-1,3-thiazol-5-yl}acetic acid (CHEBI:183477)

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CHEBI:183477 - 2-{2-[4-(tert-butyl)phenyl]-4-hydroxy-1,3-thiazol-5-yl}acetic acid

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ChEBI ID	CHEBI:183477
ChEBI Name	2-{2-[4-(tert-butyl)phenyl]-4-hydroxy-1,3-thiazol-5-yl}acetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H17NO3S
Net Charge	0
Average Mass	291.372
Monoisotopic Mass	291.09291
SMILES	CC(C)(C)c1ccc(-c2nc(O)c(CC(=O)O)s2)cc1
InChI	InChI=1S/C15H17NO3S/c1-15(2,3)10-6-4-9(5-7-10)14-16-13(19)11(20-14)8-12(17)18/h4-7,19H,8H2,1-3H3,(H,17,18)
InChIKey	VUCFIEJHQDKXBJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bombus terrestris (ncbitaxon:30195)
	brain (BTO:0000142)	MetaboLights (MTBLS3637)
	hindgut (BTO:0000510)	MetaboLights (MTBLS3637)
	hemolymph (BTO:0000572)	MetaboLights (MTBLS3637)

ChEBI Ontology

Outgoing Relation(s)
	2-{2-[4-(tert-butyl)phenyl]-4-hydroxy-1,3-thiazol-5-yl}acetic acid (CHEBI:183477) is a alkylbenzene (CHEBI:38976)

IUPAC Name
2-[2-(4-tert-butylphenyl)-4-hydroxy-1,3-thiazol-5-yl]acetic acid

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