EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:186885 - 3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid
| Formula | C21H22O10 |
| Net Charge | 0 |
| Average Mass | 434.397 |
| Monoisotopic Mass | 434.12130 |
| SMILES | O=C(CCc1ccccc1O)c1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
| InChI | InChI=1S/C21H22O10/c22-13-4-2-1-3-10(13)5-7-14(23)12-9-11(6-8-15(12)24)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-4,6,8-9,16-19,21-22,24-27H,5,7H2,(H,28,29) |
| InChIKey | MKFXCLNPCFYGOM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:186885) is a flavonoids (CHEBI:72544) |
| 3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:186885) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy]oxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0135381 | HMDB |