EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H33N3O6 |
| Net Charge | 0 |
| Average Mass | 543.620 |
| Monoisotopic Mass | 543.23694 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc3c(c2)OCO3)Oc2ncc(C=Cc3ccccc3)cc2C1=O |
| InChI | InChI=1S/C31H33N3O6/c1-20-16-34(21(2)18-35)31(37)25-13-23(10-9-22-7-5-4-6-8-22)15-32-29(25)40-28(20)17-33(3)30(36)24-11-12-26-27(14-24)39-19-38-26/h4-15,20-21,28,35H,16-19H2,1-3H3/t20-,21+,28+/m0/s1 |
| InChIKey | LVQXARYEWHFWNX-BALWLHIASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-31105 (CHEBI:119659) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31105 | LINCS |