EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169336 - Isobutyl 2-furanpropionate

ChEBI IDCHEBI:169336
ChEBI NameIsobutyl 2-furanpropionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O3
Net Charge0
Average Mass196.246
Monoisotopic Mass196.10994
SMILESCC(C)COC(=O)CCc1ccco1
InChIInChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeySVDPTFHRRNUNRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Isobutyl 2-furanpropionate (CHEBI:169336) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylpropyl 3-(uran-2-yl)propanoate
Manual XrefsDatabases
7447ChemSpider
HMDB0037734HMDB
LMFA07010915LIPID MAPS
Registry NumbersSources
CAS:105-01-1ChemIDplus