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

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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	(S)-3-p-tolylbutyl 2-hydroxy-2-methylpropanoate

ChEBI ID	CHEBI:221083

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

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

SMILES

O=C(OCC[C@@H](C1=CC=C(C)C=C1)C)C(O)(C)C

Metabolite of Species	Details
Climacodon septentrionalis (NCBI:txid202711)	See: PubMed

ChEBI Ontology
Outgoing	(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