RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0029805 | |
|---|---|---|
| RefMet name | 4-Nitroquinoline N-oxide | |
| Systematic name | 4-nitroquinoline 1-oxide | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 190.037842 (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 | C9H6N2O3 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 50695 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H | |
| InChIKey | YHQDZJICGQWFHK-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Nitroquinolines | |
| Sub Class | Nitroquinolines | |
| Distribution of 4-Nitroquinoline N-oxide 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 4-Nitroquinoline N-oxide | |
| External Links | ||
| Pubchem CID | 5955 | |
| ChEBI ID | 16907 | |
| KEGG ID | C03474 | |
| HMDB ID | HMDB0246549 | |
| MetaCyc ID | 4-NITROQUINOLINE-N-OXIDE | |
| Spectral data for 4-Nitroquinoline N-oxide standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
