EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93797 - (6R)-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one

ChEBI IDCHEBI:93797
ChEBI Name(6R)-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
Stars
DownloadsMolfile
FormulaC20H17NO6
Net Charge0
Average Mass367.357
Monoisotopic Mass367.10559
SMILESCN1CCc2cc3c(cc2C1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3
InChIInChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17?,18-/m1/s1
InChIKeyIYGYMKDQCDOMRE-QRWMCTBCSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R)-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one (CHEBI:93797) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-4319LINCS