EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C39H26O9 |
| Net Charge | 0 |
| Average Mass | 638.628 |
| Monoisotopic Mass | 638.15768 |
| SMILES | O=C(Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1 |
| InChI | InChI=1S/C39H26O9/c40-29-20-16-24(17-21-29)31-33(42)34(46-37(43)26-10-4-1-5-11-26)32(25-18-22-30(41)23-19-25)36(48-39(45)28-14-8-3-9-15-28)35(31)47-38(44)27-12-6-2-7-13-27/h1-23,40-42H |
| InChIKey | DBZBVOJHWXYEEE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hydnellum caeruleum (ncbitaxon:268276) | - | PubMed (15110701) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thelephantin K (CHEBI:212350) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [2,4-dibenzoyloxy-5-hydroxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate |
| Manual Xrefs | Databases |
|---|---|
| 10187824 | ChemSpider |