4,6,8-trihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one (CHEBI:205345)

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CHEBI:205345 - 4,6,8-trihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one

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ChEBI ID	CHEBI:205345
ChEBI Name	4,6,8-trihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O6
Net Charge	0
Average Mass	254.238
Monoisotopic Mass	254.07904
SMILES	COC1(C)OC(=O)c2c(cc(O)c(C)c2O)C1O
InChI	InChI=1S/C12H14O6/c1-5-7(13)4-6-8(9(5)14)11(16)18-12(2,17-3)10(6)15/h4,10,13-15H,1-3H3
InChIKey	JFNJJCWJWUOTOS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (25996099)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	4,6,8-trihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one (CHEBI:205345) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
4,6,8-trihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one

Manual Xrefs	Databases
35516990	ChemSpider