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CHEBI:93907 - (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol

ChEBI IDCHEBI:93907
ChEBI Name(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
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Last Modified1 February 2017
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FormulaC19H23NO5
Net Charge0
Average Mass345.395
Monoisotopic Mass345.15762
SMILESCOc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)[O-])cc1O
InChIInChI=1S/C19H23NO5/c1-20(23)7-6-13-10-19(25-3)17(22)11-14(13)15(20)8-12-4-5-18(24-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-,20?/m0/s1
InChIKeyJLMWCKYUUMRSRK-OOJLDXBWSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol (CHEBI:93907) is a isoquinolines (CHEBI:24922)
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol (CHEBI:93907) is a tertiary amine oxide (CHEBI:134363)
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