EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H8O5 |
| Net Charge | 0 |
| Average Mass | 184.147 |
| Monoisotopic Mass | 184.03717 |
| SMILES | COc1c(O)cc(C(=O)O)cc1O |
| InChI | InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12) |
| InChIKey | UBXDWYFLYYJQFR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood (UBERON:0000178) | PubMed (19812218) | ||
| urine (BTO:0001419) | PubMed (16870009) | ||
| faeces (UBERON:0001988) | PubMed (24010549) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-O-Methylgallic acid (CHEBI:88738) is a trihydroxybenzoic acid (CHEBI:27115) |
| Synonyms | Source |
|---|---|
| 3,5-Dihydroxy-4-methoxy-benzoate | HMDB |
| 3,5-Dihydroxy-4-methoxybenzoate | HMDB |
| 3,5-dihydroxy-4-methoxybenzoic acid | HMDB |
| 3,5-Dihydroxy-4-methoxy-benzoic acid | HMDB |
| 3,5-Dihydroxy-4-methoxybenzoic acid | HMDB |
| 3,5-Dihydroxy-p-anisic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013198 | HMDB |
| Citations |
|---|