EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | COc1cccc(OC)c1C(=O)O |
| InChI | InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood (UBERON:0000178) | PubMed (19812218) | ||
| urine (BTO:0001419) | PubMed (19812218) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-Dimethoxybenzoic acid (CHEBI:89493) is a benzenes (CHEBI:22712) |
| 2,6-Dimethoxybenzoic acid (CHEBI:89493) is a carbonyl compound (CHEBI:36586) |
| Synonyms | Source |
|---|---|
| 2,6-dimethoxybenzoic acid | HMDB |
| 2,6-Dimethoxy-Benzoic acid | HMDB |
| 2,6-Dimethoxy-benzoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C00040794 | KNApSAcK |
| HMDB0029273 | HMDB |
| Citations |
|---|