RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0030865 | |
|---|---|---|
| RefMet name | Gingerol | |
| Systematic name | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 294.183110 (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 | C17H26O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 69454 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 | |
| InChIKey | NLDDIKRKFXEWBK-AWEZNQCLSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Phenols | |
| Sub Class | Other phenols | |
| Distribution of Gingerol 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 Gingerol | |
| External Links | ||
| Pubchem CID | 442793 | |
| LIPID MAPS | LMPK15020007 | |
| ChEBI ID | 10136 | |
| KEGG ID | C10462 | |
| HMDB ID | HMDB0005783 | |
| MetaCyc ID | CPD-13494 | |
| EPA CompTox | DTXCID00209713 | |
| PhytoHub DB | PHUB000616 | |
| Spectral data for Gingerol 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) | |
