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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(1,1-Dimethylallyl)scopoletin

ChEBI ID	CHEBI:174419

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C15H16O4

Net Charge

Average Mass

260.289

Monoisotopic Mass

260.10486

InChI

InChI=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

InChIKey

NEUWPSXOYGGGFO-UHFFFAOYSA-N

SMILES

O1C(=O)C(C(C)(C)C=C)=CC=2C1=CC(O)=C(OC)C2

ChEBI Ontology
Outgoing	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