EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:75813 - myricetin 3-O-β-D-glucopyranoside
| Formula | C21H20O13 |
| Net Charge | 0 |
| Average Mass | 480.378 |
| Monoisotopic Mass | 480.09039 |
| SMILES | O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 |
| InChI | InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1 |
| InChIKey | FOHXFLPXBUAOJM-LIBJPBHASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lannea microcarpa (IPNI:69788-1) | - | PubMed (16805959) | |
| Abelmoschus manihot (ncbitaxon:183220) | - | PubMed (17165583) | |
| Androsace umbellata (ncbitaxon:265254) | - | PubMed (22121802) | |
| Nelumbo nucifera (ncbitaxon:4432) | - | PubMed (22500455) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) has functional parent β-D-glucose (CHEBI:15903) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) has role plant metabolite (CHEBI:76924) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is a monosaccharide derivative (CHEBI:63367) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is a myricetin O-glucoside (CHEBI:75812) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is a pentahydroxyflavone (CHEBI:25883) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is a β-D-glucoside (CHEBI:22798) |
| myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is conjugate acid of myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444) |
| Incoming Relation(s) |
| myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:145275) has functional parent myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) |
| myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444) is conjugate base of myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) |
| IUPAC Name |
|---|
| 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl β-D-glucopyranoside |
| Citations |
|---|