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CHEBI:225362 - Verrulactone D
| Formula | C31H24O11 |
| Net Charge | 0 |
| Average Mass | 572.522 |
| Monoisotopic Mass | 572.13186 |
| SMILES | COc1cc(O)c(C(=O)O)c(-c2cc3c(=O)c4c(C)c(-c5cc(OC)cc(O)c5C(=O)O)cc(O)c4oc3cc2C)c1 |
| InChI | InChI=1S/C31H24O11/c1-12-5-24-20(10-16(12)18-6-14(40-3)8-21(32)26(18)30(36)37)28(35)25-13(2)17(11-23(34)29(25)42-24)19-7-15(41-4)9-22(33)27(19)31(38)39/h5-11,32-34H,1-4H3,(H,36,37)(H,38,39) |
| InChIKey | QGHZNXVWCUBRJV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (26306815) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Verrulactone D (CHEBI:225362) is a diarylheptanoid (CHEBI:78802) |
| IUPAC Name |
|---|
| 2-[7-(2-carboxy-3-hydroxy-5-methoxyphenyl)-5-hydroxy-3,8-dimethyl-9-oxoxanthen-2-yl]-6-hydroxy-4-methoxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78435762 | ChemSpider |