EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26O11 |
| Net Charge | 0 |
| Average Mass | 430.406 |
| Monoisotopic Mass | 430.14751 |
| SMILES | O=C(OC[C@@H]1O[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1 |
| InChI | InChI=1S/C19H26O11/c20-6-10-13(21)14(22)11(7-27-10)29-19-17(25)16(24)15(23)12(30-19)8-28-18(26)9-4-2-1-3-5-9/h1-5,10-17,19-25H,6-8H2/t10-,11+,12+,13-,14-,15-,16-,17+,19-/m1/s1 |
| InChIKey | RXRSNDCGNOOFLH-SADMDIKMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,5-anhydro-2-O-(6-O-benzoyl-alpha-L-galactopyranosyl)-D-glucitol (CHEBI:183437) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| [(2S,3S,4R,5S,6R)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate |
| Manual Xrefs | Databases |
|---|---|
| 17245199 | ChemSpider |