CHEBI:191542 - 3-Methylbutyl phenylacetate

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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 3-Methylbutyl phenylacetate
ChEBI ID CHEBI:191542
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O2
Net Charge 0
Average Mass 206.285
Monoisotopic Mass 206.13068
InChI InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey QWBQBUWZZBUFHN-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(=O)CC1=CC=CC=C1
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Methylbutyl phenylacetate (CHEBI:191542) is a benzenes (CHEBI:22712)
IUPAC Name
3-methylbutyl 2-phenylacetate
Manual Xrefs Databases
7318 ChemSpider
D91902 KEGG DRUG
HMDB0035008 HMDB
View more database links
Registry Number Type Source
102-19-2 CAS Registry Number ChemIDplus