EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H14O7 |
| Net Charge | 0 |
| Average Mass | 342.303 |
| Monoisotopic Mass | 342.07395 |
| SMILES | O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H](CCO)CO1 |
| InChI | InChI=1S/C18H14O7/c19-2-1-7-6-25-12-5-10-15(17(23)13(7)12)18(24)14-9(16(10)22)3-8(20)4-11(14)21/h3-5,7,19-21,23H,1-2,6H2/t7-/m0/s1 |
| InChIKey | PTHBKNSHSCMKBV-ZETCQYMHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (30822884) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Versicol (CHEBI:199260) is a hydroxyanthraquinones (CHEBI:37485) |
| IUPAC Name |
|---|
| 4,6,8-trihydroxy-3-(2-hydroxyethyl)-2,3-dihydronaphtho[2,3-][1]benzouran-5,10-dione |
| Manual Xrefs | Databases |
|---|---|
| 137782 | ChemSpider |