EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H12ClNO6 |
| Net Charge | 0 |
| Average Mass | 325.704 |
| Monoisotopic Mass | 325.03531 |
| SMILES | O=C(NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O)c1cccc(Cl)c1O |
| InChI | InChI=1S/C14H12ClNO6/c15-7-3-1-2-6(10(7)19)13(21)16-8-4-9(18)14(5-17)12(22-14)11(8)20/h1-4,11-12,17,19-20H,5H2,(H,16,21)/t11-,12+,14-/m0/s1 |
| InChIKey | CQWDZNQKJPNNJB-SCRDCRAPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Amycolatopsis sulphurea (ncbitaxon:76022) | - | PubMed (9592560) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epoxyquinomicin D (CHEBI:213453) is a salicylamides (CHEBI:53443) |
| IUPAC Name |
|---|
| 3-chloro-2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
| Manual Xrefs | Databases |
|---|---|
| 2334388 | ChemSpider |