EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:121251 - 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester
| Formula | C27H28N2O4 |
| Net Charge | 0 |
| Average Mass | 444.531 |
| Monoisotopic Mass | 444.20491 |
| SMILES | CCOC(=O)c1c(C)oc2c1c(C(c1cccnc1)N1CCCCC1)c(O)c1ccccc12 |
| InChI | InChI=1S/C27H28N2O4/c1-3-32-27(31)21-17(2)33-26-20-12-6-5-11-19(20)25(30)23(22(21)26)24(18-10-9-13-28-16-18)29-14-7-4-8-15-29/h5-6,9-13,16,24,30H,3-4,7-8,14-15H2,1-2H3 |
| InChIKey | IAQKXFGPYLIQMT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester (CHEBI:121251) is a naphthofuran (CHEBI:39270) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32694 | LINCS |