RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0138829 | |
|---|---|---|
| RefMet name | Apigenin | |
| Systematic name | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 270.052825 (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 | C15H10O5 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 23090 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | |
| InChIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cc(ccc1c1cc(=O)c2c(cc(cc2o1)O)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 Apigenin 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 Apigenin | |
| External Links | ||
| Pubchem CID | 5280443 | |
| LIPID MAPS | LMPK12110005 | |
| ChEBI ID | 18388 | |
| KEGG ID | C01477 | |
| HMDB ID | HMDB0002124 | |
| Chemspider ID | 4444100 | |
| EPA CompTox | DTXCID902391 | |
| PhytoHub DB | PHUB000861 | |
| Spectral data for Apigenin 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) | |
