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CHEBI:198227 - 3-hydroxy-2-(hydroxymethyl)-4-(13-methyltetradecanoyl)-2H-furan-5-one

ChEBI IDCHEBI:198227
ChEBI Name3-hydroxy-2-(hydroxymethyl)-4-(13-methyltetradecanoyl)-2H-furan-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCC(C)CCCCCCCCCCCC(=O)C1=C(O)[C@H](CO)OC1=O
InChIInChI=1S/C20H34O5/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16(22)18-19(23)17(14-21)25-20(18)24/h15,17,21,23H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyFPUZCXOZGUJPTL-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8150707)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-(hydroxymethyl)-4-(13-methyltetradecanoyl)-2H-furan-5-one (CHEBI:198227) is a butenolide (CHEBI:50523)
IUPAC Name 
3-hydroxy-2-(hydroxymethyl)-4-(13-methyltetradecanoyl)-2H-uran-5-one
Manual XrefsDatabases
78434613ChemSpider