EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H20O8 |
| Net Charge | 0 |
| Average Mass | 328.317 |
| Monoisotopic Mass | 328.11582 |
| SMILES | O=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 |
| InChI | InChI=1S/C15H20O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-6-5-10(18)8-1-3-9(17)4-2-8/h1-4,11-17,19-21H,5-7H2/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | NPAQHLFPEOMKAL-UXXRCYHCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-hydroxyphenyl)-3-oxopropyl β-D-glucopyranoside (CHEBI:141404) is a β-D-glucoside (CHEBI:22798) |
| Synonym | Source |
|---|---|
| 1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| 8647103 | ChemSpider |