EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26O8 |
| Net Charge | 0 |
| Average Mass | 454.475 |
| Monoisotopic Mass | 454.16277 |
| SMILES | COC(=O)[C@]1(Cc2cc(CC=C(C)C)c(O)c(OC)c2)OC(=O)C(O)=C1c1ccc(O)cc1 |
| InChI | InChI=1S/C25H26O8/c1-14(2)5-6-17-11-15(12-19(31-3)21(17)27)13-25(24(30)32-4)20(22(28)23(29)33-25)16-7-9-18(26)10-8-16/h5,7-12,26-28H,6,13H2,1-4H3/t25-/m1/s1 |
| InChIKey | UUJQXWCJZMPOBC-RUZDIDTESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus terreus (ncbitaxon:33178) | - | DOI (10.3987/com-14-13064) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Terrephenol A (CHEBI:206332) is a methoxybenzenes (CHEBI:51683) |
| Terrephenol A (CHEBI:206332) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78441069 | ChemSpider |