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CHEBI:141633 - (S)-1-hydroxy-N-methylcanadine
| Formula | C21H24NO5 |
| Net Charge | +1 |
| Average Mass | 370.425 |
| Monoisotopic Mass | 370.16490 |
| SMILES | [H][C@@]12Cc3ccc(OC)c(OC)c3C[N+]1(C)CCc1cc3c(c(O)c12)OCO3 |
| InChI | InChI=1S/C21H23NO5/c1-22-7-6-13-9-17-21(27-11-26-17)19(23)18(13)15(22)8-12-4-5-16(24-2)20(25-3)14(12)10-22/h4-5,9,15H,6-8,10-11H2,1-3H3/p+1/t15-,22?/m0/s1 |
| InChIKey | FJOUYKHTSXWRMH-UEDXYCIISA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Papaver somniferum (ncbitaxon:3469) | - | PubMed (25485687) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) has functional parent (S)-N-methylcanadine (CHEBI:16512) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) has role plant metabolite (CHEBI:76924) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a alkaloid (CHEBI:22315) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a cyclic acetal (CHEBI:59770) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a organic heteropentacyclic compound (CHEBI:38164) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a organic hydroxy compound (CHEBI:33822) |
| (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) is a quaternary ammonium ion (CHEBI:35267) |
| Incoming Relation(s) |
| (S)-1-hydroxy-cis-N-methylcanadine (CHEBI:194530) is a (S)-1-hydroxy-N-methylcanadine (CHEBI:141633) |
| IUPAC Name |
|---|
| (13aS)-14-hydroxy-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium |
| UniProt Name | Source |
|---|---|
| (S)-1-hydroxy-N-methylcanadine | UniProt |
| Citations |
|---|