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CHEBI:134458 - cyclodopa 5-β-D-glucoside
| Formula | C15H19NO9 |
| Net Charge | 0 |
| Average Mass | 357.315 |
| Monoisotopic Mass | 357.10598 |
| SMILES | O=C(O)[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2N1 |
| InChI | InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1 |
| InChIKey | PXMFPPFHRQZIHO-OLCQZNMOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | - | MetaboLights (MTBLS313) | |
| Beta vulgaris (ncbitaxon:161934) | root (BTO:0001188) | PubMed (11421447) | |
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS313) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). 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) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) has functional parent leucodopachrome (CHEBI:60872) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) has role mouse metabolite (CHEBI:75771) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) has role plant metabolite (CHEBI:76924) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) has role rat metabolite (CHEBI:86264) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) is a indolyl carbohydrate (CHEBI:24821) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) is a indolyl carboxylic acid (CHEBI:46867) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) is a phenols (CHEBI:33853) |
| cyclodopa 5-β-D-glucoside (CHEBI:134458) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| (2S)-5-(β-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| Cyclodopa glucoside | HMDB |
| cyclo-Dopa 5-O-glucoside | KEGG COMPOUND |
| leucodopachrome 5-β-D-glucoside | ChEBI |
| leucodopachrome glucoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C17751 | KEGG COMPOUND |
| HMDB0029833 | HMDB |
| CPD-8656 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6985675 | Reaxys |
| CAS:71242-23-4 | HMDB |
| Citations |
|---|