EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H38O4 |
| Net Charge | 0 |
| Average Mass | 414.586 |
| Monoisotopic Mass | 414.27701 |
| SMILES | Cc1cc2c(c(=O)o1)C[C@H]1[C@]3(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]1(C)O2 |
| InChI | InChI=1S/C26H38O4/c1-15-13-17-16(22(28)29-15)14-20-25(5)10-7-18-23(2,3)21(27)9-11-24(18,4)19(25)8-12-26(20,6)30-17/h13,18-21,27H,7-12,14H2,1-6H3/t18-,19+,20-,21-,24-,25+,26-/m0/s1 |
| InChIKey | XVYAFRIRAFSVGL-KFCOXGNHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus chevalieri (ncbitaxon:182096) | - | DOI (10.1016/j.tet.2011.05.066) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chevalone A (CHEBI:199430) is a organic heterotricyclic compound (CHEBI:26979) |
| Chevalone A (CHEBI:199430) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1R,2S,11S,14R,15R,18S,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-6,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-5-one |
| Manual Xrefs | Databases |
|---|---|
| 28288857 | ChemSpider |