EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H52O26 |
| Net Charge | 0 |
| Average Mass | 828.720 |
| Monoisotopic Mass | 828.27468 |
| SMILES | OC[C@H]1O[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/1,5,4/[a1122h-1a_1-5]/1-1-1-1-1/a2-b1_a6-c1_c6-d1_d2-e1 |
| InChI | InChI=1S/C30H52O26/c31-1-6-11(34)16(39)22(45)28(51-6)55-24-19(42)15(38)9(50-26(24)47)4-48-27-21(44)18(41)14(37)10(54-27)5-49-30-25(20(43)13(36)8(3-33)53-30)56-29-23(46)17(40)12(35)7(2-32)52-29/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | PFUUAUUWXIDSRB-XXOTVCCXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:147269) is a oligosaccharide (CHEBI:50699) |