EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22O12 |
| Net Charge | 0 |
| Average Mass | 478.406 |
| Monoisotopic Mass | 478.11113 |
| SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(O)c1O |
| InChI | InChI=1S/C22H22O12/c1-7-15(26)18(29)19(30)22(32-7)34-21-17(28)14-10(24)5-9(23)6-12(14)33-20(21)8-3-11(25)16(27)13(4-8)31-2/h3-7,15,18-19,22-27,29-30H,1-2H3/t7-,15-,18+,19+,22-/m0/s1 |
| InChIKey | UFWGANQPWYXUQI-FDNTWFBCSA-N |
| 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) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) has functional parent 3'-O-methyltricetin (CHEBI:59976) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) has functional parent α-L-rhamnopyranose (CHEBI:27907) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) has role metabolite (CHEBI:25212) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a 3'-methoxyflavones (CHEBI:138730) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a glycosyloxyflavone (CHEBI:50018) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a monomethoxyflavone (CHEBI:25401) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a monosaccharide derivative (CHEBI:63367) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a trihydroxyflavone (CHEBI:27116) |
| 3'-O-methyltricetin 3-O-α-L-rhamnopyranoside (CHEBI:75762) is a α-L-rhamnoside (CHEBI:27848) |
| IUPAC Names |
|---|
| 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside |
| 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl α-L-rhamnopyranoside |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8023588 | Reaxys |