EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H34O17 |
| Net Charge | 0 |
| Average Mass | 546.475 |
| Monoisotopic Mass | 546.17960 |
| SMILES | OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@@H]3O[C@@H](OC[C@@H]4OC(O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,4,3/[a211h-1x_1-4][a211h-1a_1-4]/1-2-2-2/a5-b1_b5-c1_c5-d1 |
| InChI | InChI=1S/C20H34O17/c21-1-5-9(22)14(27)18(35-5)32-3-7-11(24)16(29)20(37-7)33-4-8-12(25)15(28)19(36-8)31-2-6-10(23)13(26)17(30)34-6/h5-30H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17?,18+,19+,20+/m0/s1 |
| InChIKey | SSTRHYGKXBFFON-KDVZLBJDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alpha-1,5-L-Arabinotetraose (CHEBI:190266) is a oligosaccharide (CHEBI:50699) |
| IUPAC Name |
|---|
| (3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol |