CHEBI:218549 - Nocapyrone S

ChEBI IDCHEBI:218549
ChEBI NameNocapyrone S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESCC(C)Cc1ccc([C@@](C)(O)[C@H](C)O)oc1=O
InChIInChI=1S/C13H20O4/c1-8(2)7-10-5-6-11(17-12(10)15)13(4,16)9(3)14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,13-/m0/s1
InChIKeyPUHCIPQAMDGUGT-ZANVPECISA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (28281379)
ChEBI Ontology
Outgoing Relation(s)
Nocapyrone S (CHEBI:218549) is a pyranone (CHEBI:37963)
IUPAC Names 
6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-3-(2-methylpropyl)pyran-2-one
6-(2,3-dihydroxypentan-2-yl)-3-ethylpyran-2-one
Manual XrefsDatabases
64076326ChemSpider
62233300ChemSpider