EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22O6 |
| Net Charge | 0 |
| Average Mass | 346.379 |
| Monoisotopic Mass | 346.14164 |
| SMILES | CC1C[C@]23OC(=O)C4=C2OC1C(O)C3/C=C\C(=O)[C@@H](C)C[C@@H](C)C4=O |
| InChI | InChI=1S/C19H22O6/c1-8-6-9(2)14(21)13-17-19(25-18(13)23)7-10(3)16(24-17)15(22)11(19)4-5-12(8)20/h4-5,8-11,15-16,22H,6-7H2,1-3H3/b5-4-/t8-,9+,10?,11?,15?,16?,19+/m0/s1 |
| InChIKey | FNEADFUPWHAVTA-PPDYZMKSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Micromonospora (ncbitaxon:1873) | - | PubMed (15217192) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Abybetaomicin C (CHEBI:199230) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| (4Z,7S,9R,14R)-2-hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione |
| Manual Xrefs | Databases |
|---|---|
| 78445578 | ChemSpider |