EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20O6 |
| Net Charge | 0 |
| Average Mass | 308.330 |
| Monoisotopic Mass | 308.12599 |
| SMILES | C[C@@H]1CCC[C@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 |
| InChI | InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-13(19)16-10(6-15(21)22-9)5-12(18)8-14(16)20/h5,8-9,11,17-18,20H,2-4,6-7H2,1H3/t9-,11+/m1/s1 |
| InChIKey | QPBNFQKLPIXNFL-KOLCDFICSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Curvularia (ncbitaxon:5502) | - | PubMed (24260014) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-(11S,15R)-11-Hydroxycurvularin (CHEBI:227867) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (5R,9S)-9,13,15-trihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione |
| Manual Xrefs | Databases |
|---|---|
| 78442752 | ChemSpider |