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CHEBI:69514 - rubinaphthin A methyl ester
| Formula | C18H20O9 |
| Net Charge | 0 |
| Average Mass | 380.349 |
| Monoisotopic Mass | 380.11073 |
| SMILES | COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O |
| InChI | InChI=1S/C18H20O9/c1-25-17(24)10-6-11(8-4-2-3-5-9(8)13(10)20)26-18-16(23)15(22)14(21)12(7-19)27-18/h2-6,12,14-16,18-23H,7H2,1H3/t12-,14-,15+,16-,18-/m1/s1 |
| InChIKey | ZZJSOQXSWDNDJW-AEWXESQOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rubia yunnanensis (IPNI:765385-1) | root (BTO:0001188) | PubMed (21973054) | Methanolic extract of air dried powdered roots. |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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) |
| rubinaphthin A methyl ester (CHEBI:69514) has role metabolite (CHEBI:25212) |
| rubinaphthin A methyl ester (CHEBI:69514) has role plant metabolite (CHEBI:76924) |
| rubinaphthin A methyl ester (CHEBI:69514) is a aromatic ester (CHEBI:62732) |
| rubinaphthin A methyl ester (CHEBI:69514) is a monosaccharide derivative (CHEBI:63367) |
| rubinaphthin A methyl ester (CHEBI:69514) is a naphthols (CHEBI:25392) |
| rubinaphthin A methyl ester (CHEBI:69514) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| methyl 4-(β-D-glucopyranosyloxy)-1-hydroxynaphthalene-2-carboxylate |
| Synonym | Source |
|---|---|
| 2-carbomethoxy-1,4-naphthohydroquinone-4-O-β-D-glucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22020808 | Reaxys |
| Citations |
|---|