EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:168914 - Aldobiouronic acid D3
| Formula | C11H18O11 |
| Net Charge | 0 |
| Average Mass | 326.254 |
| Monoisotopic Mass | 326.08491 |
| SMILES | O=C(O)C1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C11H18O11/c12-2-1-20-10(19)8(3(2)13)22-11-6(16)4(14)5(15)7(21-11)9(17)18/h2-8,10-16,19H,1H2,(H,17,18) |
| InChIKey | KPPOIQPQTVLBFD-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) |
| Aldobiouronic acid D3 (CHEBI:168914) is a glucosiduronic acid (CHEBI:24302) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-(2,4,5-trihydroxyoxan-3-yl)oxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040737 | HMDB |