RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0128474 | |
|---|---|---|
| RefMet name | Formononetin | |
| Systematic name | 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 268.073560 (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 | C16H12O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 22175 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 | |
| InChIKey | HKQYGTCOTHHOMP-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | COc1ccc(cc1)c1coc2cc(ccc2c1=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Flavonoids | |
| Sub Class | Isoflavonoids | |
| Distribution of Formononetin 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 Formononetin | |
| External Links | ||
| Pubchem CID | 5280378 | |
| LIPID MAPS | LMPK12050037 | |
| ChEBI ID | 18088 | |
| KEGG ID | C00858 | |
| HMDB ID | HMDB0005808 | |
| Chemspider ID | 4444070 | |
| MetaCyc ID | FORMONONETIN | |
| EPA CompTox | DTXCID502311 | |
| PhytoHub DB | PHUB000224 | |
| Spectral data for Formononetin standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
