EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:144446 - myricetin 3-O-[(6-O-trans-feruloyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−)
| Formula | C37H36O20 |
| Net Charge | -2 |
| Average Mass | 800.675 |
| Monoisotopic Mass | 800.18109 |
| SMILES | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](Oc4c(-c5cc(O)c(O)c(O)c5)oc5cc([O-])cc([O-])c5c4=O)O[C@@H](C)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| InChI | InChI=1S/C37H38O20/c1-13-26(44)31(49)35(57-36-32(50)30(48)28(46)23(55-36)12-52-24(43)6-4-14-3-5-17(39)21(7-14)51-2)37(53-13)56-34-29(47)25-18(40)10-16(38)11-22(25)54-33(34)15-8-19(41)27(45)20(42)9-15/h3-11,13,23,26,28,30-32,35-42,44-46,48-50H,12H2,1-2H3/p-2/b6-4+/t13-,23+,26-,28+,30-,31+,32+,35+,36-,37-/m0/s1 |
| InChIKey | FDLCWZWBKKRDLM-SIZJWXLGSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| myricetin 3-O-[(6-O-trans-feruloyl-β-D-glucosyl)-(1→2)-α-L-rhamnoside](2−) (CHEBI:144446) is a flavonoid oxoanion (CHEBI:60038) |
| UniProt Name | Source |
|---|---|
| myricetin 3-O-[(6-O-[(E)-feruloyl]-β-D-glucosyl)-(1→2)-α-L-rhamnoside] | UniProt |
| Citations |
|---|