EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H21NO7 |
| Net Charge | 0 |
| Average Mass | 327.333 |
| Monoisotopic Mass | 327.13180 |
| SMILES | C=C1CO[C@@](O)([C@H]2OCOC(C3CC(=O)NC(=O)C3)[C@H]2O)[C@@H]1C |
| InChI | InChI=1S/C15H21NO7/c1-7-5-23-15(20,8(7)2)14-12(19)13(21-6-22-14)9-3-10(17)16-11(18)4-9/h8-9,12-14,19-20H,1,3-6H2,2H3,(H,16,17,18)/t8-,12-,13?,14+,15-/m1/s1 |
| InChIKey | ULQATHQJWVNXEJ-DTARJOARSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Agrobacterium (ncbitaxon:357) | - | PubMed (9580130) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sesbanimide A (CHEBI:214389) is a tetrahydropyridine (CHEBI:26921) |
| IUPAC Name |
|---|
| 4-[(5R,6S)-5-hydroxy-6-[(2R,3R)-2-hydroxy-3-methyl-4-methylideneoxolan-2-yl]-1,3-dioxan-4-yl]piperidine-2,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 78442709 | ChemSpider |