Compound details
bismurrangatin
| Compound ID | CDAMM00531 |
|---|---|
| Common name | bismurrangatin | IUPAC name | 8-[2-hydroxy-1-[2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enoxy]-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| Molecular formula | C30H30O9 |
Experimental data
| Retention time | 13.46 |
|---|---|
| Adduct | [M+H]+ |
| Actual mz | 535.196 | Theoretical mz | 535.196 |
| Error | 0.42 |
| Ionizaton mode | Positive |
| Instrument type | LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60 |
| Score | 7.9998 |
Identifiers and class information
| Inchi key | HWGBLAJNKCZKTN-JQYHKRKISA-N |
|---|---|
| Smiles | O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC(C3=C(OC)C=CC=4C=CC(=O)OC43)C(O)C(=C)C)C(O)C(=C)C |
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
Plant source
External sources
| HMDB ID | |
|---|---|
| KNApSAcK ID | |
| FooDB ID | |
| DrugBank ID | |
| ChEBI ID | |
| Pubchem Compound ID | 72984488 |
| PlantCyc ID | |
| UNPD ID | UNPD153263 |
| Coconut ID | CNP0283712 |
| LipidMAPS ID | |
| NANPDB ID | NANPDB_3583 |