EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29N3O4 |
| Net Charge | 0 |
| Average Mass | 471.557 |
| Monoisotopic Mass | 471.21581 |
| SMILES | COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)NC4Cc5ccccc5C4)N[C@H]32)c1 |
| InChI | InChI=1S/C28H29N3O4/c1-35-20-8-4-7-18(13-20)21-9-10-24-25-22(14-31(24)28(21)34)23(15-32)26(30-25)27(33)29-19-11-16-5-2-3-6-17(16)12-19/h2-10,13,19,22-23,25-26,30,32H,11-12,14-15H2,1H3,(H,29,33)/t22-,23-,25+,26-/m1/s1 |
| InChIKey | CTULAYPPZYFJRD-VHCQPULKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99269) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10648 | LINCS |