EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22O6 |
| Net Charge | 0 |
| Average Mass | 334.368 |
| Monoisotopic Mass | 334.14164 |
| SMILES | COc1cc2oc(C)cc(=O)c2c(O)c1CC(C)C(=O)CC(C)O |
| InChI | InChI=1S/C18H22O6/c1-9(13(20)6-10(2)19)5-12-15(23-4)8-16-17(18(12)22)14(21)7-11(3)24-16/h7-10,19,22H,5-6H2,1-4H3 |
| InChIKey | IIUMSUVLRUBHEB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium (ncbitaxon:5149) | - | DOI (10.1016/j.cclet.2010.05.023) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chaetoaurin (CHEBI:218934) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| 5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| 78435362 | ChemSpider |