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CHEBI:133955 - agglomerin F

ChEBI IDCHEBI:133955
ChEBI Nameagglomerin F
Stars
DefinitionA butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid
Last Modified20 March 2017
SubmitterJubra
DownloadsMolfile
FormulaC10H10O6
Net Charge0
Average Mass226.184
Monoisotopic Mass226.04774
SMILESC=C1OC(=O)C(C(=O)CCC(=O)OC)=C1O
InChIInChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3
InChIKeyFFBWNTWBOGMXHG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (25044953)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
agglomerin F (CHEBI:133955) has role Aspergillus metabolite (CHEBI:76956)
agglomerin F (CHEBI:133955) is a butenolide (CHEBI:50523)
agglomerin F (CHEBI:133955) is a enol (CHEBI:33823)
agglomerin F (CHEBI:133955) is a enone (CHEBI:51689)
agglomerin F (CHEBI:133955) is a methyl ester (CHEBI:25248)
agglomerin F (CHEBI:133955) is a olefinic compound (CHEBI:78840)
agglomerin F (CHEBI:133955) is a polyketide (CHEBI:26188)
IUPAC Name 
methyl 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoate
Registry NumbersSources
Reaxys:27079070Reaxys
Citations