Compound details
Murramarin A
| Compound ID | CDAMM01588 |
|---|---|
| Common name | Murramarin A | IUPAC name | [1-[7\'-methoxy-5-[(7-methoxy-2-oxochromen-8-yl)methyl]-4,4-dimethylspiro[1,3-dioxolane-2,2\'-chromene]-8\'-yl]-3-methyl-2-oxobutyl] acetate |
| Molecular formula | C32H34O10 |
Experimental data
| Retention time | 4.63 |
|---|---|
| Adduct | [M+H]+ |
| Actual mz | 579.225 | Theoretical mz | 579.222 |
| Error | 4.7 |
| Ionizaton mode | Positive |
| Instrument type | LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60 |
| Score | 7.3521 |
Identifiers and class information
| Inchi key | LFCPZZTYFCUDCA-AFVZLFDFNA-N |
|---|---|
| Smiles | O=C1OC2=C(C=C1)C=CC(OC)=C2CC3OC4(OC5=C(C=CC(OC)=C5C(OC(=O)C)C(=O)C(C)C)C=C4)OC3(C)C |
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
Plant source
External sources
| HMDB ID | |
|---|---|
| KNApSAcK ID | C00032035 |
| FooDB ID | |
| DrugBank ID | |
| ChEBI ID | |
| Pubchem Compound ID | 73029760 |
| PlantCyc ID | |
| UNPD ID | UNPD6092 |
| Coconut ID | CNP0304219 |
| LipidMAPS ID | |
| NANPDB ID | NANPDB_3584 |