EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H32O16 |
| Net Charge | 0 |
| Average Mass | 504.438 |
| Monoisotopic Mass | 504.16903 |
| SMILES | OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a6-b1_b3-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(21)11(25)13(27)18(33-4)34-15-9(23)5(2-20)32-17(14(15)28)30-3-6-8(22)10(24)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16?,17+,18-/m1/s1 |
| InChIKey | GEMKLMOVLYWXIB-WUBZUXIOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CHEBI:155356) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranose | SUBMITTER |
| Glc(a1-3)Glc(a1-6)Glc | SUBMITTER |