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CHEBI:221689 - Virginiae butanolide E

ChEBI IDCHEBI:221689
ChEBI NameVirginiae butanolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O4
Net Charge0
Average Mass216.277
Monoisotopic Mass216.13616
SMILESCC(C)CC[C@@H](O)[C@H]1C(=O)OC[C@@H]1CO
InChIInChI=1S/C11H20O4/c1-7(2)3-4-9(13)10-8(5-12)6-15-11(10)14/h7-10,12-13H,3-6H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyXFLPHFRVXZHTDQ-AEJSXWLSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces virginiae (ncbitaxon:1961) - PubMed (2621168)
ChEBI Ontology
Outgoing Relation(s)
Virginiae butanolide E (CHEBI:221689) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,4S)-4-(hydroxymethyl)-3-[(1R)-1-hydroxy-4-methylpentyl]oxolan-2-one
Manual XrefsDatabases
78442939ChemSpider