EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C44H60N4O12 |
| Net Charge | 0 |
| Average Mass | 836.980 |
| Monoisotopic Mass | 836.42077 |
| SMILES | CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 |
| InChI | InChI=1S/C44H60N4O12/c1-13-48(14-2)27(9)47-45-20-29-34-39(54)32-31(38(29)53)33-41(26(8)37(32)52)60-44(11,42(33)55)58-19-18-30(57-12)23(5)40(59-28(10)49)25(7)36(51)24(6)35(50)21(3)16-15-17-22(4)43(56)46-34/h15-21,23-25,30,35-36,40,50-54H,13-14H2,1-12H3,(H,46,56)/b16-15+,19-18+,22-17-,45-20+,47-27+/t21-,23+,24+,25+,30-,35-,36+,40+,44-/m0/s1 |
| InChIKey | MPNLXDYNHVIMAT-WDJJWENTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rifametane (CHEBI:750534) is a naphthofuran (CHEBI:39270) |
| INNs | Source |
|---|---|
| rifametane | WHO MedNet |
| rifametano | WHO MedNet |
| Synonym | Source |
|---|---|
| SPA-S-565 | ChEMBL |