EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H30O8 |
| Net Charge | 0 |
| Average Mass | 434.485 |
| Monoisotopic Mass | 434.19407 |
| SMILES | COc1c([C@@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2C(OC)OC)c1C(=O)O |
| InChI | InChI=1S/C23H30O8/c1-12(2)9-16(24)14-7-8-18(19(22(26)27)21(14)28-4)31-20-15(23(29-5)30-6)10-13(3)11-17(20)25/h7-8,10-12,16,23-25H,9H2,1-6H3,(H,26,27)/t16-/m0/s1 |
| InChIKey | TWNKZTNRAGDRSW-INIZCTEOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1515/znb-2015-0185) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-tenellic acid B dimethyl acetal (CHEBI:200514) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| 6-[2-(dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436626 | ChemSpider |