EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21N3O7S |
| Net Charge | 0 |
| Average Mass | 447.469 |
| Monoisotopic Mass | 447.11002 |
| SMILES | CC(=O)OCCN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O |
| InChI | InChI=1S/C20H21N3O7S/c1-12-17-18(20(26)23(19(17)25)7-10-30-13(2)24)15-11-14(3-4-16(15)21-12)31(27,28)22-5-8-29-9-6-22/h3-4,11H,5-10H2,1-2H3 |
| InChIKey | MWXJJTMEUGWKKY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester (CHEBI:93128) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3438 | LINCS |