CHEBI:69514 - rubinaphthin A methyl ester

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ChEBI Name rubinaphthin A methyl ester
ChEBI ID CHEBI:69514
Definition A member of the class of naphthols that is naphthalen-1-ol substituted by a β-D-glucopyranosyloxy residue at position 4 and a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H20O9
Net Charge 0
Average Mass 380.34600
Monoisotopic Mass 380.11073
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
SMILES COC(=O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
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 Number Type Source
22020808 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
08 January 2014