CHEBI:110185 - 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
ChEBI ID CHEBI:110185
Stars This entity has been manually annotated by a third party.
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Formula C22H23NO7
Net Charge 0
Average Mass 413.421
Monoisotopic Mass 413.147
InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3
InChIKey AKNNEGZIBPJZJG-UHFFFAOYSA-N
SMILES CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
ChEBI Ontology
Outgoing 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one (CHEBI:110185) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-21629 LINCS
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