RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0135235 | |
|---|---|---|
| RefMet name | Chrysin | |
| Systematic name | 5,7-Dihydroxyflavone | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 254.057910 (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 | C15H10O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 23274 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | |
| InChIKey | RTIXKCRFFJGDFG-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc(cc1)c1cc(=O)c2c(cc(cc2o1)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Flavonoids | |
| Sub Class | Flavones and Flavonols | |
| Distribution of Chrysin 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 Chrysin | |
| External Links | ||
| Pubchem CID | 5281607 | |
| LIPID MAPS | LMPK12110189 | |
| ChEBI ID | 75095 | |
| KEGG ID | C10028 | |
| HMDB ID | HMDB0036619 | |
| Chemspider ID | 4444926 | |
| EPA CompTox | DTXCID902396 | |
| PhytoHub DB | PHUB000870 | |
| Spectral data for Chrysin 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) | |
