EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:189178 - Echinosporin
| Formula | C10H9NO5 |
| Net Charge | 0 |
| Average Mass | 223.184 |
| Monoisotopic Mass | 223.04807 |
| SMILES | [H][C@]12OC(=O)[C@]3(O)C=C[C@]1([H])[C@]3([H])C=C(C(N)=O)O2 |
| InChI | InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)/t4-,5+,8+,10+/m1/s1 |
| InChIKey | OXSZHYWOGQJUST-YYZSKVJKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | leaf (BTO:0000713) | MetaboLights (MTBLS3997) | |
| Streptomyces (ncbitaxon:1883) | - | PubMed (7076574) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Echinosporin (CHEBI:189178) is a δ-lactone (CHEBI:18946) |
| IUPAC Names |
|---|
| (1S,4S,7R,8S)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide |
| (1S,4S,7S,8S)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide |
| Registry Numbers | Sources |
|---|---|
| CAS:79127-35-8 | ChemIDplus |