EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H9NO2 |
| Net Charge | 0 |
| Average Mass | 151.165 |
| Monoisotopic Mass | 151.06333 |
| SMILES | Cc1cccc(C(=O)O)c1N |
| InChI | InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | WNAJXPYVTFYEST-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Amino-3-methylbenzoate (CHEBI:80574) is a aminobenzoic acid (CHEBI:22495) |
| Manual Xrefs | Databases |
|---|---|
| C16571 | KEGG COMPOUND |
| HMDB0060680 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:4389-45-1 | KEGG COMPOUND |