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CHEBI:141342 - 5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate

Default Structure
ChEBI IDCHEBI:141342
ChEBI Name5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate
Stars
DefinitionA carbonate ester resulting from the formal condensation of the hydroxy group of 5-(undeca-3,5,7-trien-1-yl)furan-2-ol with one of the hydroxy groups of carbonic acid. A metabolite of the endophytic fungus Emericella sp. XL029. The configuration of the double bonds of the undecatrienyl group is not stated.
Last Modified7 November 2024
SubmitterR. Stephan
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILES[H]C(CCC)=C([H])C([H])=C([H])C([H])=C([H])CCc1ccc(OC(=O)O)o1
InChIInChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15(19-14)20-16(17)18/h4-9,12-13H,2-3,10-11H2,1H3,(H,17,18)
InChIKeySAGFYRGTZFFXNC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sp. (ncbitaxon:5065) - PubMed (28927292) Species also known as Emericella sp. Strain: XL029
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate (CHEBI:141342) has functional parent 5-(undeca-3,5,7-trien-1-yl)furan-2-ol (CHEBI:141341)
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate (CHEBI:141342) has role antifungal agent (CHEBI:35718)
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate (CHEBI:141342) has role fungal metabolite (CHEBI:76946)
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate (CHEBI:141342) is a carbonate ester (CHEBI:46722)
IUPAC Name 
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate
Synonym  Source
5-(undeca-3,5,7-trien-1-yl)furan-2-ol-carbonateChEBI
Citations