CHEBI:169465 - Hexyl 2-furoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Hexyl 2-furoate
ChEBI ID CHEBI:169465
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O3
Net Charge 0
Average Mass 196.246
Monoisotopic Mass 196.10994
InChI InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3
InChIKey KMLFVAGUWNPADU-UHFFFAOYSA-N
SMILES O(CCCCCC)C(=O)C=1OC=CC1
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Hexyl 2-furoate (CHEBI:169465) has functional parent 2-furoic acid (CHEBI:30845)
Hexyl 2-furoate (CHEBI:169465) is a carboxylic ester (CHEBI:33308)
IUPAC Name
hexyl uran-2-carboxylate
Manual Xrefs Databases
55834 ChemSpider
HMDB0037725 HMDB
View more database links
Registry Number Type Source
39251-86-0 CAS Registry Number ChemIDplus