5-methyl-8-(3-methylbut-2-enyl) furanocoumarin (CHEBI:221186)

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CHEBI:221186 - 5-methyl-8-(3-methylbut-2-enyl) furanocoumarin

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ChEBI ID	CHEBI:221186
ChEBI Name	5-methyl-8-(3-methylbut-2-enyl) furanocoumarin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H16O3
Net Charge	0
Average Mass	268.312
Monoisotopic Mass	268.10994
SMILES	CC(C)=CCc1c2occc2c(C)c2ccc(=O)oc12
InChI	InChI=1S/C17H16O3/c1-10(2)4-5-14-16-13(8-9-19-16)11(3)12-6-7-15(18)20-17(12)14/h4,6-9H,5H2,1-3H3
InChIKey	XWLUVSYTCOKRQM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (21972976)

ChEBI Ontology

Outgoing Relation(s)
	5-methyl-8-(3-methylbut-2-enyl) furanocoumarin (CHEBI:221186) is a psoralens (CHEBI:26369)

IUPAC Name
4-methyl-9-(3-methylbut-2-enyl)uro[3,2-g]chromen-7-one

Manual Xrefs	Databases
78434904	ChemSpider