EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H42O20 |
| Net Charge | 0 |
| Average Mass | 650.580 |
| Monoisotopic Mass | 650.22694 |
| SMILES | OC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[h1122h_2-5][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3/a4-b1_b3-c1_b6-d1 |
| InChI | InChI=1S/C24H42O20/c25-1-6-11(29)15(33)17(35)22(40-6)38-5-10-14(32)21(44-23-18(36)16(34)12(30)7(2-26)41-23)19(37)24(42-10)43-20-9(4-28)39-8(3-27)13(20)31/h6-37H,1-5H2/t6-,7-,8-,9+,10-,11-,12-,13-,14-,15+,16+,17+,18+,19+,20-,21+,22+,23-,24+/m1/s1 |
| InChIKey | OXIZAIIYPGXRMV-NWCFGRMTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-3,5-Dihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:151583) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |