EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22O10 |
| Net Charge | 0 |
| Average Mass | 326.298 |
| Monoisotopic Mass | 326.12130 |
| SMILES | CC1O[C@@H](OC([C@H](O)C(O)CO)[C@@H](O)C=O)[C@@H](O)C(O)C1O |
| InChI | InChI=1S/C12H22O10/c1-4-7(17)9(19)10(20)12(21-4)22-11(6(16)3-14)8(18)5(15)2-13/h3-13,15-20H,2H2,1H3/t4?,5?,6-,7?,8+,9?,10-,11?,12-/m0/s1 |
| InChIKey | WFLGVJKIXANXQV-CJVZSHCUSA-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-O-a-L-Fucopyranosyl-D-glucose (CHEBI:168871) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| (2R,4R)-2,4,5,6-tetrahydroxy-3-[(2S,3S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal |
| Manual Xrefs | Databases |
|---|---|
| 35016017 | ChemSpider |
| HMDB0006701 | HMDB |