3,6,8-trimethoxy-3-methylisochromane (CHEBI:216514)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216514 - 3,6,8-trimethoxy-3-methylisochromane

Take structure to advanced search

ChEBI ID	CHEBI:216514
ChEBI Name	3,6,8-trimethoxy-3-methylisochromane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H18O4
Net Charge	0
Average Mass	238.283
Monoisotopic Mass	238.12051
SMILES	COc1cc2c(c(OC)c1)CO[C@](C)(OC)C2
InChI	InChI=1S/C13H18O4/c1-13(16-4)7-9-5-10(14-2)6-12(15-3)11(9)8-17-13/h5-6H,7-8H2,1-4H3/t13-/m0/s1
InChIKey	RQGPFFLZSAYWIA-ZDUSSCGKSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus fumigatus (ncbitaxon:746128)	-	PubMed (30011828)

ChEBI Ontology

Outgoing Relation(s)
	3,6,8-trimethoxy-3-methylisochromane (CHEBI:216514) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(3S)-3,6,8-trimethoxy-3-methyl-1,4-dihydroisochromene