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3-(1,1-Dimethylallyl)scopoletin

Properties

Image

Occurences in reactions

MNX_ID

MNXM117298

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₅H₁₆O₄

charge

mass

260.10486

reference

InChIKey

NEUWPSXOYGGGFO-UHFFFAOYSA-N

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

SMILES

C=CC(C)(C)c1cc2cc(OC)c(O)cc2oc1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174419 chebi:174419	3-(1,1-Dimethylallyl)scopoletin 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
hmdb:HMDB0034133	3-(1,1-Dimethylallyl)scopoletin 3-(1,1-Dimethyl-2-propenyl)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
hmdb:HMDB34133	secondary/obsolete/fantasy identifier