EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17NO4 |
| Net Charge | 0 |
| Average Mass | 287.315 |
| Monoisotopic Mass | 287.11576 |
| SMILES | OC1C=C2C3CN(Cc4cc5c(cc43)OCO5)C2CC1O |
| InChI | InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2 |
| InChIKey | JKZMYBLUKAMPKM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hippagine (CHEBI:181611) is a benzazepine (CHEBI:35676) |
| IUPAC Name |
|---|
| 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraene-15,16-diol |
| Manual Xrefs | Databases |
|---|---|
| 543351 | ChemSpider |