EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H37NO5 |
| Net Charge | 0 |
| Average Mass | 395.540 |
| Monoisotopic Mass | 395.26717 |
| SMILES | [H][C@@]1([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(N)=O)O[C@@]2(C)CC[C@]([H])(O2)[C@H]1C |
| InChI | InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,12,14-20,24-25H,10-11H2,1-6H3,(H2,23,26)/b8-7+,13-9-/t12-,14+,15+,16+,17-,18-,19+,20+,22-/m0/s1 |
| InChIKey | GRVRRAOIXXYICO-XVBWCICRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide (CHEBI:181351) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide |
| Manual Xrefs | Databases |
|---|---|
| 17214449 | ChemSpider |