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CHEBI:174419 - 3-(1,1-Dimethylallyl)scopoletin

Default Structure
ChEBI IDCHEBI:174419
ChEBI Name3-(1,1-Dimethylallyl)scopoletin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O4
Net Charge0
Average Mass260.289
Monoisotopic Mass260.10486
SMILESC=CC(C)(C)c1cc2cc(OC)c(O)cc2oc1=O
InChIInChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3
InChIKeyNEUWPSXOYGGGFO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,1-Dimethylallyl)scopoletin (CHEBI:174419) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Manual XrefsDatabases
4526592ChemSpider
HMDB0034133HMDB