EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H33N3O4 |
| Net Charge | 0 |
| Average Mass | 475.589 |
| Monoisotopic Mass | 475.24711 |
| SMILES | CCO[C@H]1c2c(nc3c4c(ccc23)OC(C)(C)C=C4)C(C)(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]12NC4=O |
| InChI | InChI=1S/C28H33N3O4/c1-6-34-22-19-16-8-9-17-15(10-12-25(2,3)35-17)20(16)29-21(19)26(4,5)18-14-27-11-7-13-31(27)24(33)28(18,22)30-23(27)32/h8-10,12,18,22,29H,6-7,11,13-14H2,1-5H3,(H,30,32)/t18-,22-,27-,28+/m0/s1 |
| InChIKey | ABGLIBVHQPDKHL-WKLMKUDMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 10-O-ethylnotoamide R (CHEBI:226964) is a pyrroloquinoline (CHEBI:50918) |
| IUPAC Name |
|---|
| (1R,2S,17S,19S)-2-ethoxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaene-24,26-dione |
| Manual Xrefs | Databases |
|---|---|
| 71048386 | ChemSpider |