EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209610 - Xestodecalactone A

ChEBI IDCHEBI:209610
ChEBI NameXestodecalactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESC[C@@H]1CCCC(=O)c2c(O)cc(O)cc2CC(=O)O1
InChIInChI=1S/C14H16O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h5,7-8,15,17H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyAQNZLWYQYFPMBX-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (12444683)
ChEBI Ontology
Outgoing Relation(s)
Xestodecalactone A (CHEBI:209610) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4R)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
Manual XrefsDatabases
552695ChemSpider