EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208291 - Nipyrone C

ChEBI IDCHEBI:208291
ChEBI NameNipyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC[C@@](C)(O)C[C@H](C)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C14H22O4/c1-6-14(4,16)8-9(2)11-7-12(17-5)10(3)13(15)18-11/h7,9,16H,6,8H2,1-5H3/t9-,14+/m0/s1
InChIKeyASQJXEOZHCDEDM-LKFCYVNXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (31185700)
ChEBI Ontology
Outgoing Relation(s)
Nipyrone C (CHEBI:208291) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2S,4R)-4-hydroxy-4-methylhexan-2-yl]-4-methoxy-3-methylpyran-2-one
Manual XrefsDatabases
76117756ChemSpider