EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H14N2O3 |
| Net Charge | 0 |
| Average Mass | 270.288 |
| Monoisotopic Mass | 270.10044 |
| SMILES | COC(=O)CCc1nccc2c1nc1ccc(O)cc12 |
| InChI | InChI=1S/C15H14N2O3/c1-20-14(19)5-4-13-15-10(6-7-16-13)11-8-9(18)2-3-12(11)17-15/h2-3,6-8,17-18H,4-5H2,1H3 |
| InChIKey | LQPSCOXPIPTZBH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cortinarius infractus (ncbitaxon:165398) | - | DOI (10.1016/s0040-4039(01)80250-1) |
| 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) |
| 6-Hydroxyinfractin (CHEBI:212645) is a harmala alkaloid (CHEBI:61379) |
| IUPAC Name |
|---|
| methyl 3-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)propanoate |
| Manual Xrefs | Databases |
|---|---|
| 9109755 | ChemSpider |