EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212945 - Aspyronol

ChEBI IDCHEBI:212945
ChEBI NameAspyronol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O5
Net Charge0
Average Mass216.233
Monoisotopic Mass216.09977
SMILESCO[C@@H](C1=C[C@H](O)[C@@H](C)OC1=O)[C@@H](C)O
InChIInChI=1S/C10H16O5/c1-5(11)9(14-3)7-4-8(12)6(2)15-10(7)13/h4-6,8-9,11-12H,1-3H3/t5-,6-,8+,9-/m1/s1
InChIKeyHPKIOTFRXLRBAB-MTSNSDSCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24871461)
ChEBI Ontology
Outgoing Relation(s)
Aspyronol (CHEBI:212945) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R,3S)-3-hydroxy-5-[(1S,2R)-2-hydroxy-1-methoxypropyl]-2-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
32675104ChemSpider