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CHEBI:169325 - 3,4,5-trihydroxy-6-{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid
| Formula | C27H28O10 |
| Net Charge | 0 |
| Average Mass | 512.511 |
| Monoisotopic Mass | 512.16825 |
| SMILES | COc1c(/C=C/C(=O)c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)ccc2c1C=CC(C)(C)O2 |
| InChI | InChI=1S/C27H28O10/c1-27(2)13-12-17-19(37-27)11-7-15(23(17)34-3)6-10-18(28)14-4-8-16(9-5-14)35-26-22(31)20(29)21(30)24(36-26)25(32)33/h4-13,20-22,24,26,29-31H,1-3H3,(H,32,33)/b10-6+ |
| InChIKey | PGAYFLXPBRLJOE-UXBLZVDNSA-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-{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169325) is a flavonoids (CHEBI:72544) |
| 3,4,5-trihydroxy-6-{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169325) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[4-[(E)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-enoyl]phenoxy]oxane-2-carboxylic acid |