EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18O10 |
| Net Charge | 0 |
| Average Mass | 418.354 |
| Monoisotopic Mass | 418.09000 |
| SMILES | O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 |
| InChI | InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20-/m0/s1 |
| InChIKey | POQICXMTUPVZMX-UXYNSRGZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gomphrena (ncbitaxon:169521) | leaf (BTO:0000713) | MetaboLights (MTBLS613) | Strain: Gomphrena agrestis Mart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| kaempferol 3-arabinofuranoside (CHEBI:167534) is a flavonoids (CHEBI:72544) |
| kaempferol 3-arabinofuranoside (CHEBI:167534) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| 10365524 | ChemSpider |
| LMPK12111839 | LIPID MAPS |