EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16O6 |
| Net Charge | 0 |
| Average Mass | 292.287 |
| Monoisotopic Mass | 292.09469 |
| SMILES | C[C@H]1C[C@H](O)[C@]2(O)C(=O)c3c(O)cccc3O[C@@]2(C)C1=O |
| InChI | InChI=1S/C15H16O6/c1-7-6-10(17)15(20)13(19)11-8(16)4-3-5-9(11)21-14(15,2)12(7)18/h3-5,7,10,16-17,20H,6H2,1-2H3/t7-,10-,14-,15-/m0/s1 |
| InChIKey | RPNDGZMICPELCH-HGFQVTMISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1016/j.tet.2017.11.038) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mangrovamide K (CHEBI:211216) is a xanthones (CHEBI:51149) |
| IUPAC Name |
|---|
| (1S,3S,4aR,9aR)-1,8,9a-trihydroxy-3,4a-dimethyl-2,3-dihydro-1H-xanthene-4,9-dione |
| Manual Xrefs | Databases |
|---|---|
| 62934190 | ChemSpider |