EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H28O17 |
| Net Charge | 0 |
| Average Mass | 624.504 |
| Monoisotopic Mass | 624.13265 |
| SMILES | O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)oc3c2)C(O)C(O)C1O |
| InChI | InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39) |
| InChIKey | DUNZXXOAZWJFBE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Brassica napus (ncbitaxon:3708) | flower (BTO:0000469) | MetaboLights (MTBLS3950) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Luteolin 4'-glucoside 7-galacturonide (CHEBI:190073) is a flavonoids (CHEBI:72544) |
| Luteolin 4'-glucoside 7-galacturonide (CHEBI:190073) is a glucosiduronic acid (CHEBI:24302) |
| IUPAC Name |
|---|
| 3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038809 | HMDB |