(3S,4R)-6-hydroxy-8-methoxy-3,5-dimethyl-4-isochromanol (CHEBI:208684)

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CHEBI:208684 - (3S,4R)-6-hydroxy-8-methoxy-3,5-dimethyl-4-isochromanol

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ChEBI ID	CHEBI:208684
ChEBI Name	(3S,4R)-6-hydroxy-8-methoxy-3,5-dimethyl-4-isochromanol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O4
Net Charge	0
Average Mass	224.256
Monoisotopic Mass	224.10486
SMILES	COc1cc(O)c(C)c2c1CO[C@@H](C)[C@@H]2O
InChI	InChI=1S/C12H16O4/c1-6-9(13)4-10(15-3)8-5-16-7(2)12(14)11(6)8/h4,7,12-14H,5H2,1-3H3/t7-,12-/m0/s1
InChIKey	FWQJAZKWNXACKB-MADCSZMMSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies (ncbitaxon:5081)	-	DOI (10.1016/j.phytol.2015.06.003)

ChEBI Ontology

Outgoing Relation(s)
	(3S,4R)-6-hydroxy-8-methoxy-3,5-dimethyl-4-isochromanol (CHEBI:208684) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(3S,4R)-8-methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromene-4,6-diol

Manual Xrefs	Databases
78442035	ChemSpider