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CHEBI:208744 - Butanolide A

ChEBI IDCHEBI:208744
ChEBI NameButanolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC[C@@H](O)CC/C=C\C=C\[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H22O4/c1-2-11(15)7-5-3-4-6-8-12(16)13-9-10-14(17)18-13/h3-4,6,8,11-13,15-16H,2,5,7,9-10H2,1H3/b4-3-,8-6+/t11-,12+,13-/m1/s1
InChIKeyMCOVUDBVHLCDBW-JNIPPHOLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28990801)
ChEBI Ontology
Outgoing Relation(s)
Butanolide A (CHEBI:208744) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(5R)-5-[(1S,2E,4Z,8R)-1,8-dihydroxydeca-2,4-dienyl]oxolan-2-one
Manual XrefsDatabases
71116002ChemSpider