EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H8O4 |
| Net Charge | 0 |
| Average Mass | 240.214 |
| Monoisotopic Mass | 240.04226 |
| SMILES | O=C1c2ccccc2C(=O)c2c(O)cc(O)cc21 |
| InChI | InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H |
| InChIKey | WPWWKBNOXTZDQJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rubia yunnanensis (IPNI:765385-1) | root (BTO:0001188) | PubMed (21973054) | Methanolic extract of air dried powdered roots. |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| xanthopurpurin (CHEBI:37502) has role metabolite (CHEBI:25212) |
| xanthopurpurin (CHEBI:37502) is a dihydroxyanthraquinone (CHEBI:37484) |
| IUPAC Name |
|---|
| 1,3-dihydroxyanthracene-9,10-dione |
| Synonyms | Source |
|---|---|
| 1,3-dihydroxy-9,10-anthracenedione | ChemIDplus |
| 1,3-dihydroxy-9,10-anthraquinone | IUPAC |
| 1,3-dihydroxyanthraquinone | ChemIDplus |
| xanthopurpurin | ChemIDplus |
| purpuroxanthine | ChEBI |
| Purpuroxanthin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1979394 | Beilstein |
| CAS:518-83-2 | ChemIDplus |