RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136225 | |
|---|---|---|
| RefMet name | Cinnamaldehyde | |
| Systematic name | (2E)-3-phenylprop-2-enal | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 132.057515 (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 | C9H8O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38332 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ | |
| InChIKey | KJPRLNWUNMBNBZ-QPJJXVBHSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc(cc1)/C=C/C=O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organic acids | |
| Main Class | Phenylpropanoids | |
| Sub Class | Cinnamic acids | |
| Distribution of Cinnamaldehyde 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 Cinnamaldehyde | |
| External Links | ||
| Pubchem CID | 637511 | |
| ChEBI ID | 16731 | |
| KEGG ID | C00903 | |
| HMDB ID | HMDB0003441 | |
| Chemspider ID | 553117 | |
| MetaCyc ID | CINNAMALDEHYDE | |
| EPA CompTox | DTXCID10911537 | |
| PhytoHub DB | PHUB001673 | |
| Spectral data for Cinnamaldehyde 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) | |
