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CHEBI:176935 - Narcotoline hemiacetal
| Formula | C21H23NO7 |
| Net Charge | 0 |
| Average Mass | 401.415 |
| Monoisotopic Mass | 401.14745 |
| SMILES | [H][C@]1([C@@]2([H])c3c(cc4c(c3O)OCO4)CCN2C)OC(O)c2c1ccc(OC)c2OC |
| InChI | InChI=1S/C21H23NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,21,23-24H,6-7,9H2,1-3H3/t16-,18+,21?/m1/s1 |
| InChIKey | IFVHOVYYIXFWLJ-JUAJCIKASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptococcus mutans (ncbitaxon:1309) | biofilm (BTO:0002690) | MetaboLights (MTBLS3020) | Strain: Streptococcus mutans UA159 [NCBI:txid210007] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Narcotoline hemiacetal (CHEBI:176935) is a isoquinolines (CHEBI:24922) |
| IUPAC Name |
|---|
| (5R)-5-[(1S)-3-hydroxy-4,5-dimethoxy-1,3-dihydro-2-benzouran-1-yl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol |