RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0021475 | |
|---|---|---|
| RefMet name | Glycitein | |
| Systematic name | 7,4'-Dihydroxy-6-methoxyisoflavone | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 284.068475 (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 | C16H12O5 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 22242 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 | |
| InChIKey | DXYUAIFZCFRPTH-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | COc1cc2c(cc1O)occ(c1ccc(cc1)O)c2=O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Flavonoids | |
| Sub Class | Isoflavonoids | |
| Distribution of Glycitein 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 Glycitein | |
| External Links | ||
| Pubchem CID | 5317750 | |
| LIPID MAPS | LMPK12050104 | |
| ChEBI ID | 34778 | |
| KEGG ID | C14536 | |
| HMDB ID | HMDB0005781 | |
| Chemspider ID | 4476508 | |
| EPA CompTox | DTXCID80116451 | |
| PhytoHub DB | PHUB000227 | |
| Spectral data for Glycitein 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) | |
