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CHEBI:91580 - 1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one

ChEBI IDCHEBI:91580
ChEBI Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one
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DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCOc1ccc(CC2NCCC3=CC(=O)CCC32)cc1O
InChIInChI=1S/C17H21NO3/c1-21-17-5-2-11(9-16(17)20)8-15-14-4-3-13(19)10-12(14)6-7-18-15/h2,5,9-10,14-15,18,20H,3-4,6-8H2,1H3
InChIKeyTVTNSEWSTITOSK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one (CHEBI:91580) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-1384LINCS