EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H28O14 |
| Net Charge | 0 |
| Average Mass | 444.386 |
| Monoisotopic Mass | 444.14791 |
| SMILES | OC[C@H]1OC(O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2122h-1x_1-5][a212h-1b_1-5]/1-2-2/a2-b1_a3-c1 |
| InChI | InChI=1S/C16H28O14/c17-1-6-9(22)12(29-15-10(23)7(20)4(18)2-26-15)13(14(25)28-6)30-16-11(24)8(21)5(19)3-27-16/h4-25H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12+,13-,14?,15+,16+/m1/s1 |
| InChIKey | DGJYPAFKEALWOO-YZOIUQFBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5R)-2-[(3R,4S,5R,6R)-2,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol (CHEBI:150920) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| beta-D-xylo-pentopyranosyl-(1->2)-[beta-D-xylo-pentopyranosyl-(1->3)]-D-gluco-hexopyranose | SUBMITTER |
| Xyl(b1-2)[Xyl(b1-3)]Glc | SUBMITTER |