EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H6O3 |
| Net Charge | 0 |
| Average Mass | 126.111 |
| Monoisotopic Mass | 126.03169 |
| SMILES | Cc1occc(=O)c1O |
| InChI | InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| InChIKey | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cordyceps sinensis (ncbitaxon:72228) | mycelium (BTO:0001436) | PubMed (21848266) | Ethanolic extract of dried mycelia |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-2-methyl-4-pyrone (CHEBI:69438) has role metabolite (CHEBI:25212) |
| 3-hydroxy-2-methyl-4-pyrone (CHEBI:69438) is a 4-pyranones (CHEBI:131906) |
| Incoming Relation(s) |
| licoagroside B (CHEBI:142266) has functional parent 3-hydroxy-2-methyl-4-pyrone (CHEBI:69438) |
| maltol sulfate (CHEBI:233015) has functional parent 3-hydroxy-2-methyl-4-pyrone (CHEBI:69438) |
| Synonyms | Source |
|---|---|
| Palatone | ChEBI |
| larixic acid | ChEBI |
| Vetol | ChEBI |
| 4H-Pyran-4-one, 3-hydroxy-2-methyl- | ChEBI |
| 2-Methyl pyromeconic acid | ChEBI |
| Maltol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 0000118718 | ChemIDplus |
| C11918 | KEGG COMPOUND |
| LSM-37076 | LINCS |
| HMDB0030776 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:118-71-8 | KEGG COMPOUND |
| Citations |
|---|