CHEBI:93907 - (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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ChEBI Name (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
ChEBI ID CHEBI:93907
Stars This entity has been manually annotated by a third party.
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Formula C19H23NO5
Net Charge 0
Average Mass 345.390
Monoisotopic Mass 345.15762
InChI InChI=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
InChIKey JLMWCKYUUMRSRK-OOJLDXBWSA-N
SMILES C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-]
ChEBI Ontology
Outgoing (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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Last Modified
01 February 2017