EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H25NO3 |
| Net Charge | 0 |
| Average Mass | 315.413 |
| Monoisotopic Mass | 315.18344 |
| SMILES | CC(=C/C(=O)c1cccn1)/C=C/C1OC1(C)C/C=C/C(C)(C)O |
| InChI | InChI=1S/C19H25NO3/c1-14(13-16(21)15-7-5-12-20-15)8-9-17-19(4,23-17)11-6-10-18(2,3)22/h5-10,12-13,17,20,22H,11H2,1-4H3/b9-8+,10-6+,14-13- |
| InChIKey | CDWBYXSZRBSCKW-XSPBBWNJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (25641843) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2Z,4E)-5-{3-[(2E)-4-hydroxy-4-methylpent-2-en-1-yl]-3-methyloxiran-2-yl}-3-methyl-1-(1H-pyrrol-2-yl)penta-2,4-dien-1-one (CHEBI:205478) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (2Z,4E)-5-[3-[(E)-4-hydroxy-4-methylpent-2-enyl]-3-methyloxiran-2-yl]-3-methyl-1-(1H-pyrrol-2-yl)penta-2,4-dien-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78435644 | ChemSpider |