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](O)[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H]3[C@H](O)CO)[C@@H]2O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2112h-1b_1-4][a2112h-1a_1-5]/1-2-1/a3-b1_b3-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4(22)12-8(25)9(26)17(32-12)33-14-7(24)6(3-21)30-18(11(14)28)34-15-10(27)16(29)31-13(15)5(23)2-20/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18-/m1/s1 |
| InChIKey | MUHIXBKBDOHBTR-WYQWGYKMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R)-2-[(1R)-1,2-Dihydroxyethyl]-4,5-dihydroxyoxolan-3-yl]oxy-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CHEBI:153613) is a glycoside (CHEBI:24400) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexofuranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexofuranose | SUBMITTER |
| Galf(b1-3)Gal(a1-3)b-Galf | SUBMITTER |