EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H19NO8 |
| Net Charge | 0 |
| Average Mass | 329.305 |
| Monoisotopic Mass | 329.11107 |
| SMILES | NCCc1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |
| InChI | InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14?/m0/s1 |
| InChIKey | CQASRCDNLNMIJY-ZAOAHOKWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5R)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid (CHEBI:125376) is a glycoside (CHEBI:24400) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36858 | LINCS |