EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H14N2O2 |
| Net Charge | 0 |
| Average Mass | 278.311 |
| Monoisotopic Mass | 278.10553 |
| SMILES | [H]O[C@]12C(=O)c3c([H])c([H])c([H])c([H])c3N=C1N(c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C2([H])[H] |
| InChI | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 |
| InChIKey | DOMYOVZXZIZTRD-QGZVFWFLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one (CHEBI:49500) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BL7 | PDBeChem |