5-[2-(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium (CHEBI:181476)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181476 - 5-[2-(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Take structure to advanced search

ChEBI ID	CHEBI:181476
ChEBI Name	5-[2-(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H28NO8
Net Charge	+1
Average Mass	470.498
Monoisotopic Mass	470.18094
SMILES	COc1c2c(cc3c1C(CC(=O)c1c(O)c(OC)c4occc4c1OC)[N+](C)(C)CC3)OCO2
InChI	InChI=1S/C25H27NO8/c1-26(2)8-6-13-10-17-23(34-12-33-17)24(30-4)18(13)15(26)11-16(27)19-20(28)25(31-5)22-14(7-9-32-22)21(19)29-3/h7,9-10,15H,6,8,11-12H2,1-5H3/p+1
InChIKey	XTRKZMFPKIQAIJ-UHFFFAOYSA-O

ChEBI Ontology

Outgoing Relation(s)
	5-[2-(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium (CHEBI:181476) is a isoquinolines (CHEBI:24922)

IUPAC Name
1-(6-hydroxy-4,7-dimethoxy-1-benzouran-5-yl)-2-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethanone

Manual Xrefs	Databases
4419385	ChemSpider