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CHEBI:169356 - 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid
| Formula | C22H24O13 |
| Net Charge | 0 |
| Average Mass | 496.421 |
| Monoisotopic Mass | 496.12169 |
| SMILES | COc1ccc(CCC(=O)c2c(O)c(O)c(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2O)cc1 |
| InChI | InChI=1S/C22H24O13/c1-33-9-5-2-8(3-6-9)4-7-10(23)11-12(24)14(26)16(28)19(13(11)25)34-22-18(30)15(27)17(29)20(35-22)21(31)32/h2-3,5-6,15,17-18,20,22,24-30H,4,7H2,1H3,(H,31,32) |
| InChIKey | MFIRYKFVKUPBTI-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-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169356) is a flavonoids (CHEBI:72544) |
| 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169356) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy]oxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0130234 | HMDB |