(3R,3′R/S)-isotalarone (CHEBI:204490)

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CHEBI:204490 - (3R,3′R/S)-isotalarone

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ChEBI ID	CHEBI:204490
ChEBI Name	(3R,3′R/S)-isotalarone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H12O6
Net Charge	0
Average Mass	276.244
Monoisotopic Mass	276.06339
SMILES	COc1cc(O)c2c(c1)[C@H](C1=CC(C)OC1=O)OC2=O
InChI	InChI=1S/C14H12O6/c1-6-3-9(13(16)19-6)12-8-4-7(18-2)5-10(15)11(8)14(17)20-12/h3-6,12,15H,1-2H3/t6?,12-/m1/s1
InChIKey	GKKCVQMLRJLTNZ-SMFDIBLKSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1515/znb-2015-0185)

ChEBI Ontology

Outgoing Relation(s)
	(3R,3′R/S)-isotalarone (CHEBI:204490) is a benzofurans (CHEBI:35259)

IUPAC Name
(3R)-7-hydroxy-5-methoxy-3-(2-methyl-5-oxo-2H-uran-4-yl)-3H-2-benzouran-1-one

Manual Xrefs	Databases
78437147	ChemSpider