EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18O6 |
| Net Charge | 0 |
| Average Mass | 306.314 |
| Monoisotopic Mass | 306.11034 |
| SMILES | COC1=CC(=O)O[C@]12Oc1cc(OC)c(O)c(C)c1C[C@@H]2C |
| InChI | InChI=1S/C16H18O6/c1-8-5-10-9(2)15(18)12(19-3)6-11(10)21-16(8)13(20-4)7-14(17)22-16/h6-8,18H,5H2,1-4H3/t8-,16-/m0/s1 |
| InChIKey | DEOOIOBYRUQOIQ-PWJLMRLQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (28228227) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aspersclerotiorone F (CHEBI:214751) is a 1-benzopyran (CHEBI:38443) |
| IUPAC Name |
|---|
| (2S,3S)-6-hydroxy-4',7-dimethoxy-3,5-dimethylspiro[3,4-dihydrochromene-2,5'-uran]-2'-one |
| Manual Xrefs | Databases |
|---|---|
| 78442148 | ChemSpider |