EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H38N4O8 |
| Net Charge | 0 |
| Average Mass | 618.687 |
| Monoisotopic Mass | 618.26896 |
| SMILES | CCc1c2c(nc3ccc(OC(=O)N4CCC(NCCCCC(=O)O)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC |
| InChI | InChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1 |
| InChIKey | BSVVZICJFYZDJJ-XIFFEERXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| APC (CHEBI:80551) is a pyranoindolizinoquinoline (CHEBI:48626) |
| Manual Xrefs | Databases |
|---|---|
| C16542 | KEGG COMPOUND |
| HMDB0060661 | HMDB |