RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0016767 | |
|---|---|---|
| RefMet name | 2-Phenylethanol | |
| Systematic name | 2-phenylethan-1-ol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 122.073165 (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 | C8H10O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 46296 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 | |
| InChIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc(cc1)CCO
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Benzenes | |
| Sub Class | Other benzenes | |
| Distribution of 2-Phenylethanol 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-Phenylethanol | |
| External Links | ||
| Pubchem CID | 6054 | |
| ChEBI ID | 49000 | |
| KEGG ID | C05853 | |
| HMDB ID | HMDB0033944 | |
| Chemspider ID | 5830 | |
| MetaCyc ID | CPD-7035 | |
| EPA CompTox | DTXCID206342 | |
| PhytoHub DB | PHUB000628 | |
| Spectral data for 2-Phenylethanol 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) | |
