EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26O13 |
| Net Charge | 0 |
| Average Mass | 462.404 |
| Monoisotopic Mass | 462.13734 |
| SMILES | [H][C@@]1(O[C@H]2[C@H](Oc3ccc(O)c(C(=O)OC)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)OC[C@](O)(CO)[C@H]1O |
| InChI | InChI=1S/C19H26O13/c1-28-16(26)9-4-8(2-3-10(9)22)30-17-14(13(24)12(23)11(5-20)31-17)32-18-15(25)19(27,6-21)7-29-18/h2-4,11-15,17-18,20-25,27H,5-7H2,1H3/t11-,12-,13+,14-,15+,17-,18+,19-/m1/s1 |
| InChIKey | NYGPJXGUWTXKJH-YVNDIJNTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acer saccharum (ncbitaxon:4024) | bark (BTO:0001301) | PubMed (22032697) | The air-dried powder of the bark was extracted by maceration with methanol |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Saccharumoside D (CHEBI:68962) has role metabolite (CHEBI:25212) |
| Saccharumoside D (CHEBI:68962) is a glycoside (CHEBI:24400) |
| Synonym | Source |
|---|---|
| 5-[O-beta-D-apiofuranosyl-(1->2)-O-beta-D-glucopyranosyl]methyl gentisate | ChEBI |
| Citations |
|---|