EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16O3 |
| Net Charge | 0 |
| Average Mass | 208.257 |
| Monoisotopic Mass | 208.10994 |
| SMILES | C[C@@H](O)C/C=C/c1cccc(O)c1CO |
| InChI | InChI=1S/C12H16O3/c1-9(14)4-2-5-10-6-3-7-12(15)11(10)8-13/h2-3,5-7,9,13-15H,4,8H2,1H3/b5-2+/t9-/m1/s1 |
| InChIKey | HCGXNPIBSQYRLJ-OSOUNJMWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis virgatula (ncbitaxon:290289) | mycelium (BTO:0001436) | PubMed (21942847) | Endophytic fungus derived from the plant Terminalia chebula. |
| 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) |
| (E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol (CHEBI:69696) has role metabolite (CHEBI:25212) |
| (E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol (CHEBI:69696) is a olefinic compound (CHEBI:78840) |
| Citations |
|---|