EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H23NO12 |
| Net Charge | 0 |
| Average Mass | 469.399 |
| Monoisotopic Mass | 469.12203 |
| SMILES | [H][C@@]12NC(=O)c3c(cc4c(c3O)OCO4)C1=C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H]2O |
| InChI | InChI=1S/C20H23NO12/c22-3-9-13(24)16(27)17(28)20(33-9)32-7-2-6-5-1-8-18(31-4-30-8)14(25)10(5)19(29)21-11(6)15(26)12(7)23/h1-2,7,9,11-13,15-17,20,22-28H,3-4H2,(H,21,29)/t7-,9+,11+,12+,13+,15-,16-,17+,20+/m0/s1 |
| InChIKey | SHDYPIISBMIEEN-IVALFBGTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Kalbreclasine (CHEBI:6101) is a phenanthridines (CHEBI:51245) |
| Synonym | Source |
|---|---|
| Kalbreclasine | KEGG COMPOUND |