EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:213195 - Ikarugamycin epoxide
| Formula | C29H38N2O5 |
| Net Charge | 0 |
| Average Mass | 494.632 |
| Monoisotopic Mass | 494.27807 |
| SMILES | CCC1C(C)CC2C3CC4/C=C/C(O)=C5C(=O)NC(CCCNC(=O)C=CCC4C3C3OC3C12)C5=O |
| InChI | InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4?,10-9+,25-21? |
| InChIKey | XVOOQLPJKAEVAZ-KRWLBPITSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (12817810) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ikarugamycin epoxide (CHEBI:213195) is a iridoid monoterpenoid (CHEBI:50563) |
| IUPAC Name |
|---|
| (3E)-11-ethyl-2-hydroxy-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.05,17.07,16.08,12.013,15]nonacosa-1,3,19-triene-21,28,29-trione |