CHEBI:191497 - 3-Phenylpropyl isovalerate

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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-Phenylpropyl isovalerate
ChEBI ID CHEBI:191497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:595805, ZINC000001584052
Download Molfile XML SDF
Formula C14H20O2
Net Charge 0
Average Mass 220.312
Monoisotopic Mass 220.14633
InChI InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKey LBNFCOMOXOWXCD-UHFFFAOYSA-N
SMILES O(CCCC1=CC=CC=C1)C(=O)CC(C)C
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Phenylpropyl isovalerate (CHEBI:191497) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-phenylpropyl 3-methylbutanoate
Manual Xrefs Databases
56340 ChemSpider
HMDB0036389 HMDB
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Registry Number Type Source
03/07/5452 CAS Registry Number ChemIDplus