EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C54H60N4O15 |
| Net Charge | 0 |
| Average Mass | 1005.087 |
| Monoisotopic Mass | 1004.40552 |
| SMILES | COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OCCN(CCOc1c(OC)cc(C=CC(=O)N2CCC=CC2=O)cc1OC)CCOc1c(OC)cc(C=CC(=O)N2CCC=CC2=O)cc1OC |
| InChI | InChI=1S/C54H60N4O15/c1-65-40-31-37(16-19-49(62)56-22-10-7-13-46(56)59)32-41(66-2)52(40)71-28-25-55(26-29-72-53-42(67-3)33-38(34-43(53)68-4)17-20-50(63)57-23-11-8-14-47(57)60)27-30-73-54-44(69-5)35-39(36-45(54)70-6)18-21-51(64)58-24-12-9-15-48(58)61/h7-9,13-21,31-36H,10-12,22-30H2,1-6H3 |
| InChIKey | GSYPVTRHRIBUQT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4925 (CHEBI:94296) has functional parent cinnamic acid (CHEBI:27386) |
| LSM-4925 (CHEBI:94296) is a olefinic compound (CHEBI:78840) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4925 | LINCS |