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CHEBI:168730 - 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid
| Formula | C22H24O13 |
| Net Charge | 0 |
| Average Mass | 496.421 |
| Monoisotopic Mass | 496.12169 |
| SMILES | COc1ccc(C(C)C(=O)c2c(O)cc(O)cc2O)c(O)c1OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI=1S/C22H24O13/c1-7(14(26)13-10(24)5-8(23)6-11(13)25)9-3-4-12(33-2)19(15(9)27)34-22-18(30)16(28)17(29)20(35-22)21(31)32/h3-7,16-18,20,22-25,27-30H,1-2H3,(H,31,32) |
| InChIKey | PIXBPENFPLPJLW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:168730) is a glycoside (CHEBI:24400) |
| 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:168730) is a stilbenoid (CHEBI:26776) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy]oxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0133884 | HMDB |