RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0038668 | |
|---|---|---|
| RefMet name | 8-O-Methyltetrangulol | |
| Systematic name | 1-hydroxy-8-methoxy-3-methyltetraphene-7,12-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 318.089210 (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 | C20H14O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 54346 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C20H14O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-9,21H,1-2H3 | |
| InChIKey | YCYXQISGHUDFRO-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | Cc1cc2ccc3c(c2c(c1)O)C(=O)c1cccc(c1C3=O)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Angucyclines | |
| Sub Class | Angucyclines | |
| Distribution of 8-O-Methyltetrangulol 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 8-O-Methyltetrangulol | |
| External Links | ||
| Pubchem CID | 443807 | |
| ChEBI ID | 31145 | |
| KEGG ID | C12398 | |
| NPAtlas DB | NP014085 | |
| Spectral data for 8-O-Methyltetrangulol standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
