EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C43H52N4O5 |
| Net Charge | 0 |
| Average Mass | 704.912 |
| Monoisotopic Mass | 704.39377 |
| SMILES | [H][C@]1(c2cc3nc4c(c3cc2OC)CC[N@@]2C[C@H]3C[C@H](CC)[C@@]2([H])[C@@]4(C(=O)OC)C3)C[C@H]2/C(=C\C)CN(C)[C@H](Cc3c1nc1ccccc31)C2C(=O)OC |
| InChI | InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37?,40-,43+/m0/s1 |
| InChIKey | VCMIRXRRQJNZJT-QGDNWDNJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Voacamine (CHEBI:10014) is a citraconoyl group (CHEBI:23315) |
| Synonyms | Source |
|---|---|
| Voacamine | KEGG COMPOUND |
| voacanginine | DrugCentral |
| vocamine | DrugCentral |