EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H8O5 |
| Net Charge | 0 |
| Average Mass | 196.158 |
| Monoisotopic Mass | 196.03717 |
| SMILES | O=C(O)CC(=O)Oc1ccc(O)cc1 |
| InChI | InChI=1S/C9H8O5/c10-6-1-3-7(4-2-6)14-9(13)5-8(11)12/h1-4,10H,5H2,(H,11,12) |
| InChIKey | LEOVWDSHDAVANJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22624806) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxy-benzenepropanedioate (CHEBI:89654) is a benzoate ester (CHEBI:36054) |
| 4-Hydroxy-benzenepropanedioate (CHEBI:89654) is a phenols (CHEBI:33853) |
| Synonyms | Source |
|---|---|
| 3-(4-hydroxyphenoxy)-3-oxopropanoic acid | HMDB |
| 3-(4-hydroxyphenoxy)-3-oxopropanoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059809 | HMDB |
| Citations |
|---|