EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H14N2O5 |
| Net Charge | 0 |
| Average Mass | 362.341 |
| Monoisotopic Mass | 362.09027 |
| SMILES | Nc1cc2c(cc1N)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 |
| InChI | InChI=1S/C20H14N2O5/c21-15-7-11-14(8-16(15)22)20(27-19(11)25)12-3-1-9(23)5-17(12)26-18-6-10(24)2-4-13(18)20/h1-8,23-24H,21-22H2 |
| InChIKey | LTYUPYUWXRTNFQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS8090) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,5-Diaminofluorescein (CHEBI:229536) has functional parent dibenzopyran (CHEBI:39203) |
| 4,5-Diaminofluorescein (CHEBI:229536) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 5,6-diamino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |