EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18O4 |
| Net Charge | 0 |
| Average Mass | 238.283 |
| Monoisotopic Mass | 238.12051 |
| SMILES | CC[C@H](O)/C=C(\C)c1cc(OC)c(C)c(=O)o1 |
| InChI | InChI=1S/C13H18O4/c1-5-10(14)6-8(2)11-7-12(16-4)9(3)13(15)17-11/h6-7,10,14H,5H2,1-4H3/b8-6+/t10-/m0/s1 |
| InChIKey | MPDDBIZPSZZTPG-PCGIRMHASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xylaria (ncbitaxon:37991) | - | PubMed (26324074) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-Hydroxylarone (CHEBI:197731) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| 6-[(E)-4-hydroxyhex-2-en-2-yl]-4-methoxy-3-methylpyran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78436074 | ChemSpider |