RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0108717 | |
|---|---|---|
| RefMet name | Salsolinol | |
| Systematic name | (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 179.094629 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C10H13NO2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 49694 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1 | |
| InChIKey | IBRKLUSXDYATLG-LURJTMIESA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C[C@H]1c2cc(c(cc2CCN1)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Alkaloids | |
| Main Class | Tyrosine alkaloids | |
| Sub Class | Isoquinoline alkaloids | |
| Distribution of Salsolinol in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Salsolinol | |
| External Links | ||
| Pubchem CID | 91588 | |
| ChEBI ID | 113 | |
| KEGG ID | C09642 | |
| HMDB ID | HMDB0042012 | |
| Chemspider ID | 82699 | |
| PhytoHub DB | PHUB000834 | |
| Spectral data for Salsolinol standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
