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CHEBI:168958 - 6-[(6-{[(2-carboxyacetyl)oxy]methyl}-2,4,5-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Formula | C15H22O15 |
| Net Charge | 0 |
| Average Mass | 442.326 |
| Monoisotopic Mass | 442.09587 |
| SMILES | O=C(O)CC(=O)OCC1OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O |
| InChI | InChI=1S/C15H22O15/c16-4(17)1-5(18)27-2-3-6(19)8(21)12(14(26)28-3)30-15-10(23)7(20)9(22)11(29-15)13(24)25/h3,6-12,14-15,19-23,26H,1-2H2,(H,16,17)(H,24,25) |
| InChIKey | NOLPUILTGZBYGW-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) |
| 6-[(6-{[(2-carboxyacetyl)oxy]methyl}-2,4,5-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168958) is a glucosiduronic acid (CHEBI:24302) |
| IUPAC Name |
|---|
| 6-[6-[(2-carboxyacetyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0127477 | HMDB |