EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16O7 |
| Net Charge | 0 |
| Average Mass | 320.297 |
| Monoisotopic Mass | 320.08960 |
| SMILES | COC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(O)cc(C)cc2O1 |
| InChI | InChI=1S/C16H16O7/c1-8-5-9(17)14-10(18)7-16(15(20)21-2,23-11(14)6-8)12-3-4-13(19)22-12/h5-6,12,17H,3-4,7H2,1-2H3/t12-,16+/m0/s1 |
| InChIKey | LKWYUESLGBROHL-BLLLJJGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gonytrichumspecies (ncbitaxon:2706005) | - | PubMed (21827134) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gonytolide C (CHEBI:216809) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| methyl (2R)-5-hydroxy-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 26233344 | ChemSpider |