6,8-Dihydroxy-3-methoxy-3,7-dimethylisochroman-1-one (CHEBI:218336)

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CHEBI:218336 - 6,8-Dihydroxy-3-methoxy-3,7-dimethylisochroman-1-one

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ChEBI ID	CHEBI:218336
ChEBI Name	6,8-Dihydroxy-3-methoxy-3,7-dimethylisochroman-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O5
Net Charge	0
Average Mass	238.239
Monoisotopic Mass	238.08412
SMILES	CO[C@@]1(C)Cc2cc(O)c(C)c(O)c2C(=O)O1
InChI	InChI=1S/C12H14O5/c1-6-8(13)4-7-5-12(2,16-3)17-11(15)9(7)10(6)14/h4,13-14H,5H2,1-3H3/t12-/m1/s1
InChIKey	NNQXUIIMQDRQFN-GFCCVEGCSA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsis coffeae (ncbitaxon:393282)	-	DOI (10.1177/1934578X1801300117)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	6,8-Dihydroxy-3-methoxy-3,7-dimethylisochroman-1-one (CHEBI:218336) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(3R)-6,8-dihydroxy-3-methoxy-3,7-dimethyl-4H-isochromen-1-one

Manual Xrefs	Databases
71048705	ChemSpider