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CHEBI:189124 - Methyl (6-hydroxy-5,7,8-trimethyl-2-oxo-2,3-dihydro-1,4-benzoxathiin-3-yl)acetate

ChEBI IDCHEBI:189124
ChEBI NameMethyl (6-hydroxy-5,7,8-trimethyl-2-oxo-2,3-dihydro-1,4-benzoxathiin-3-yl)acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5S
Net Charge0
Average Mass296.344
Monoisotopic Mass296.07184
SMILESCOC(=O)CC1Sc2c(C)c(O)c(C)c(C)c2OC1=O
InChIInChI=1S/C14H16O5S/c1-6-7(2)12-13(8(3)11(6)16)20-9(14(17)19-12)5-10(15)18-4/h9,16H,5H2,1-4H3
InChIKeyXWFIAISCRPRDQR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Methyl (6-hydroxy-5,7,8-trimethyl-2-oxo-2,3-dihydro-1,4-benzoxathiin-3-yl)acetate (CHEBI:189124) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
methyl 2-(6-hydroxy-5,7,8-trimethyl-2-oxo-1,4-benzoxathiin-3-yl)acetate
Manual XrefsDatabases
527492ChemSpider