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CHEBI:114193 - (3S)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one

ChEBI IDCHEBI:114193
ChEBI Name(3S)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
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DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILESCOc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3
InChIInChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1
InChIKeyJZUTXVTYJDCMDU-OALUTQOASA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one (CHEBI:114193) is a isoquinolines (CHEBI:24922)
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LSM-25644LINCS