EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22O6 |
| Net Charge | 0 |
| Average Mass | 322.357 |
| Monoisotopic Mass | 322.14164 |
| SMILES | CO[C@H]1CCC[C@H](C)OC(=O)c2c(O)cc(O)cc2CC(=O)C1 |
| InChI | InChI=1S/C17H22O6/c1-10-4-3-5-14(22-2)8-12(18)6-11-7-13(19)9-15(20)16(11)17(21)23-10/h7,9-10,14,19-20H,3-6,8H2,1-2H3/t10-,14-/m0/s1 |
| InChIKey | FALVZFIZJLIGBM-HZMBPMFUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Talaromyces rugulosus (ncbitaxon:121627) | - | PubMed (29135916) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,7S)-7-methoxyresorcylide (CHEBI:212976) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4S,8S)-14,16-dihydroxy-8-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,10-dione |
| Manual Xrefs | Databases |
|---|---|
| 23550437 | ChemSpider |