(S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate (CHEBI:221083)

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CHEBI:221083 - (S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate

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ChEBI ID	CHEBI:221083
ChEBI Name	(S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	Cc1ccc([C@@H](C)CCOC(=O)C(C)(C)O)cc1
InChI	InChI=1S/C15H22O3/c1-11-5-7-13(8-6-11)12(2)9-10-18-14(16)15(3,4)17/h5-8,12,17H,9-10H2,1-4H3/t12-/m0/s1
InChIKey	YZUKJJBWZXYQRZ-LBPRGKRZSA-N

Species of Metabolite	Component	Source	Comments
Climacodon septentrionalis (ncbitaxon:202711)	-	PubMed (21512224)

ChEBI Ontology

Outgoing Relation(s)
	(S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate (CHEBI:221083) is a monoterpenoid (CHEBI:25409)

IUPAC Name
[(3S)-3-(4-methylphenyl)butyl] 2-hydroxy-2-methylpropanoate

Manual Xrefs	Databases
28288787	ChemSpider