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]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2112h-1b_1-5][a2122h-1b_1-5]/1-2-1/a4-b1_b2-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(22)9(24)13(28)17(31-4)34-15-10(25)8(23)5(2-20)32-18(15)33-14-6(3-21)30-16(29)12(27)11(14)26/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12-,13-,14+,15-,16-,17+,18+/m1/s1 |
| InChIKey | XVZKICWMWKGCOD-SVBBCGMFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:153807) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Gal(b1-2)Glc(b1-4)b-Gal | SUBMITTER |
| beta-D-galacto-hexopyranosyl-(1->2)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranose | SUBMITTER |