EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C14H18O9 |
| Net Charge | 0 |
| Average Mass | 330.289 |
| Monoisotopic Mass | 330.09508 |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2cc(CCO)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 |
| InChIKey | CPHMFZSEPDNJAZ-BYNIDDHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hydroxytyrosol 3'-glucuronide (CHEBI:189741) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 62906317 | ChemSpider |