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CHEBI:208282 - Nipyrone B

ChEBI IDCHEBI:208282
ChEBI NameNipyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILESCC[C@H](C)C[C@H](C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C14H22O3/c1-6-8(2)7-9(3)13-10(4)12(15)11(5)14(16)17-13/h8-9,15H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyIWXSAAXASBMZBN-IUCAKERBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (31185700)
ChEBI Ontology
Outgoing Relation(s)
Nipyrone B (CHEBI:208282) is a pyranone (CHEBI:37963)
IUPAC Name 
4-hydroxy-3,5-dimethyl-6-[(2S,4S)-4-methylhexan-2-yl]pyran-2-one
Manual XrefsDatabases
76117755ChemSpider