RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0135364 | |
|---|---|---|
| RefMet name | 2-Hydroxybenzaldehyde | |
| Systematic name | 2-hydroxybenzaldehyde | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 122.036780 (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 | C7H6O2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 46396 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H | |
| InChIKey | SMQUZDBALVYZAC-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc(c(c1)C=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Benzaldehydes | |
| Sub Class | Hydroxybenzaldehydes | |
| Distribution of 2-Hydroxybenzaldehyde 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 2-Hydroxybenzaldehyde | |
| External Links | ||
| Pubchem CID | 6998 | |
| ChEBI ID | 16008 | |
| KEGG ID | C06202 | |
| HMDB ID | HMDB0034170 | |
| Chemspider ID | 13863618 | |
| MetaCyc ID | SALICYLALDEHYDE | |
| EPA CompTox | DTXCID001792 | |
| Spectral data for 2-Hydroxybenzaldehyde standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| 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) | |
