EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26O7 |
| Net Charge | 0 |
| Average Mass | 402.443 |
| Monoisotopic Mass | 402.16785 |
| SMILES | COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O |
| InChI | InChI=1S/C22H26O7/c1-12(2)8-18(27-4)15-6-7-17(19(22(25)26)21(15)28-5)29-20-14(11-23)9-13(3)10-16(20)24/h6-7,9-12,18,24H,8H2,1-5H3,(H,25,26)/t18-/m0/s1 |
| InChIKey | YZWSXDKWBMBIFO-SFHVURJKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dendrospora tenella (ncbitaxon:1491030) | - | PubMed (10217713) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tenellic acid A (CHEBI:205493) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| 6-(2-ormyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8748550 | ChemSpider |