EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H33N3O4 |
| Net Charge | 0 |
| Average Mass | 463.578 |
| Monoisotopic Mass | 463.24711 |
| SMILES | C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4 |
| InChI | InChI=1S/C27H33N3O4/c1-15-8-10-30-14-25-13-26(24(4,5)18(25)12-27(15,30)22(32)29-25)16-6-7-17-20(19(16)28-21(26)31)33-11-9-23(2,3)34-17/h6-7,9,11,15,18H,8,10,12-14H2,1-5H3,(H,28,31)(H,29,32)/t15-,18-,25+,26+,27+/m0/s1 |
| InChIKey | BURSJVCDMSDLOC-VPLCTNQWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillusspecies (ncbitaxon:5065) | - | PubMed (9402989) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SB200437 (CHEBI:216340) is a amino acid amide (CHEBI:22475) |
| IUPAC Name |
|---|
| (1'S,6'S,7'R,8R,9'S)-4,4,6',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione |
| Manual Xrefs | Databases |
|---|---|
| 8271470 | ChemSpider |