CHEBI:171966 - 2-hexylfuran

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ChEBI Name 2-hexylfuran ChEBI ID CHEBI:171966 Definition A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a hexyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H16O Net Charge 0 Average Mass 152.237 Monoisotopic Mass 152.12012 InChI InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3 InChIKey XBLCAKKYMZVLPU-UHFFFAOYSA-N SMILES CCCCCCC1=CC=CO1 Metabolite of Species Details Amomum subulatum (NCBI:txid1008370) See: PubMed Hibiscus sabdariffa (NCBI:txid183260) Found in seed (BTO:0001226). See: PubMed Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study Spondias tuberosa (NCBI:txid991123) Found in fruit (BTO:0000486). Found in fruit pulp. See: DOI Bos taurus (NCBI:txid9913) See: PubMed Roles Classification Biological Role(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. Application(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-hexylfuran (CHEBI:171966) has role flavouring agent (CHEBI:35617) 2-hexylfuran (CHEBI:171966) has role human metabolite (CHEBI:77746) 2-hexylfuran (CHEBI:171966) has role mammalian metabolite (CHEBI:75768) 2-hexylfuran (CHEBI:171966) has role volatile oil component (CHEBI:27311) 2-hexylfuran (CHEBI:171966) is a furans (CHEBI:24129) IUPAC Name 2-hexylfuran Synonyms Sources 2-hexyl furan ChEBI 2-hexyl-furan HMDB 2-n-hexylfuran NIST Chemistry WebBook Manual Xrefs Databases 69820 ChemSpider FDB019467 FooDB HMDB0039816 HMDB View more database links Registry Numbers Types Sources 3777-70-6 CAS Registry Number NIST Chemistry WebBook 3777-70-6 CAS Registry Number ChemIDplus Citations Types Sources 21928831 PubMed citation Europe PMC IND44612730 Agricola citation Europe PMC Last Modified 18 June 2021