EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20N2O7 |
| Net Charge | 0 |
| Average Mass | 352.343 |
| Monoisotopic Mass | 352.12705 |
| SMILES | NCCc1cnc2ccc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc12 |
| InChI | InChI=1S/C16H20N2O7/c17-4-3-7-6-18-10-2-1-8(5-9(7)10)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-2,5-6,11-14,16,18-21H,3-4,17H2,(H,22,23)/t11-,12-,13+,14-,16?/m0/s1 |
| InChIKey | QALKNDMLQRCLGT-AKFOCJAPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5R)-6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid (CHEBI:125369) is a glycoside (CHEBI:24400) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36845 | LINCS |