6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide (CHEBI:200173)

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CHEBI:200173 - 6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide

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ChEBI ID	CHEBI:200173
ChEBI Name	6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O4
Net Charge	0
Average Mass	262.305
Monoisotopic Mass	262.12051
SMILES	COc1c(C)c(OCC=C(C)C)cc2c1COC2=O
InChI	InChI=1S/C15H18O4/c1-9(2)5-6-18-13-7-11-12(8-19-15(11)16)14(17-4)10(13)3/h5,7H,6,8H2,1-4H3
InChIKey	BGCNHXQQGSIHRP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Alternaria tagetica (ncbitaxon:160391)	-	PubMed (27280836)

ChEBI Ontology

Outgoing Relation(s)
	6-(3',3'-dimethylallyloxy)-4-methoxy-5-methylphthalide (CHEBI:200173) is a 2-benzofurans (CHEBI:38831)

IUPAC Name
4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-3H-2-benzouran-1-one

Manual Xrefs	Databases
154116	ChemSpider