3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman (CHEBI:202527)

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CHEBI:202527 - 3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman

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ChEBI ID	CHEBI:202527
ChEBI Name	3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O4
Net Charge	0
Average Mass	224.256
Monoisotopic Mass	224.10486
SMILES	COc1cc2c(c(O)c1C)[C@H](O)O[C@@H](C)C2
InChI	InChI=1S/C12H16O4/c1-6-4-8-5-9(15-3)7(2)11(13)10(8)12(14)16-6/h5-6,12-14H,4H2,1-3H3/t6-,12+/m0/s1
InChIKey	JAMOAVUTINVWFP-PWCHPLFNSA-N

Species of Metabolite	Component	Source	Comments
Penicillium steckii (ncbitaxon:303698)	-	DOI (10.1016/s0031-9422(00)00106-0)

ChEBI Ontology

Outgoing Relation(s)
	3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman (CHEBI:202527) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(1R,3S)-6-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromene-1,8-diol

Manual Xrefs	Databases
78440137	ChemSpider