(3S)-6-hydroxy-8-methoxy-3-methylisochroman (CHEBI:202620)

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CHEBI:202620 - (3S)-6-hydroxy-8-methoxy-3-methylisochroman

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ChEBI ID	CHEBI:202620
ChEBI Name	(3S)-6-hydroxy-8-methoxy-3-methylisochroman
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H14O3
Net Charge	0
Average Mass	194.230
Monoisotopic Mass	194.09429
SMILES	COc1cc(O)cc2c1CO[C@@H](C)C2
InChI	InChI=1S/C11H14O3/c1-7-3-8-4-9(12)5-11(13-2)10(8)6-14-7/h4-5,7,12H,3,6H2,1-2H3/t7-/m0/s1
InChIKey	PQSAZKPYHXPOFX-ZETCQYMHSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(3S)-6-hydroxy-8-methoxy-3-methylisochroman (CHEBI:202620) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(3S)-8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-6-ol

Manual Xrefs	Databases
78442002	ChemSpider