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CHEBI:217702 - (5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one

ChEBI IDCHEBI:217702
ChEBI Name(5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCC[C@@H]1CCc2occ(COC)c(=O)c2[C@@H]1O
InChIInChI=1S/C13H18O4/c1-3-8-4-5-10-11(12(8)14)13(15)9(6-16-2)7-17-10/h7-8,12,14H,3-6H2,1-2H3/t8-,12-/m1/s1
InChIKeyWQNHLSNFCSLZQY-PRHODGIISA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - DOI (10.1016/j.phytol.2014.06.011)
ChEBI Ontology
Outgoing Relation(s)
(5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one (CHEBI:217702) is a pyranone (CHEBI:37963)
IUPAC Name 
(5R,6R)-6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one
Manual XrefsDatabases
78440500ChemSpider