6-(4'-hydroxy-2'-methyl phenoxy)-(-)-(3R)-mellein (CHEBI:204759)

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CHEBI:204759 - 6-(4'-hydroxy-2'-methyl phenoxy)-(-)-(3R)-mellein

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ChEBI ID	CHEBI:204759
ChEBI Name	6-(4'-hydroxy-2'-methyl phenoxy)-(-)-(3R)-mellein
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H16O5
Net Charge	0
Average Mass	300.310
Monoisotopic Mass	300.09977
SMILES	Cc1cc(O)ccc1Oc1cc(O)c2c(c1)C[C@@H](C)OC2=O
InChI	InChI=1S/C17H16O5/c1-9-5-12(18)3-4-15(9)22-13-7-11-6-10(2)21-17(20)16(11)14(19)8-13/h3-5,7-8,10,18-19H,6H2,1-2H3/t10-/m1/s1
InChIKey	IUPFFJUFFWRGKA-SNVBAGLBSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus terreus (ncbitaxon:33178)	-	DOI (10.1515/znb-2004-0315)

ChEBI Ontology

Outgoing Relation(s)
	6-(4'-hydroxy-2'-methyl phenoxy)-(-)-(3R)-mellein (CHEBI:204759) is a aromatic ether (CHEBI:35618)

IUPAC Name
(3R)-8-hydroxy-6-(4-hydroxy-2-methylphenoxy)-3-methyl-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
9612900	ChemSpider