CHEBI:16065 - scopolin

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ChEBI Name scopolin
ChEBI ID CHEBI:16065
Definition A member of the class of coumarins that is scopoletin attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15068, CHEBI:9058, CHEBI:26612
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Formula C16H18O9
Net Charge 0
Average Mass 354.30872
Monoisotopic Mass 354.095
InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChIKey SGTCGCCQZOUMJJ-YMILTQATSA-N
SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Acer saccharum (NCBI:txid4024) Found in bark (BTO:0001301). The air-dried powder of the bark was extracted by maceration with methanol See: PubMed
Roles Classification
Biological Role(s): 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 scopolin (CHEBI:16065) has functional parent scopoletin (CHEBI:17488)
scopolin (CHEBI:16065) has role plant metabolite (CHEBI:76924)
scopolin (CHEBI:16065) is a β-D-glucoside (CHEBI:22798)
scopolin (CHEBI:16065) is a coumarins (CHEBI:23403)
scopolin (CHEBI:16065) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
6-methoxy-2-oxo-2H-chromen-7-yl β-D-glucopyranoside
Synonyms Sources
7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one ChEBI
Scopolin KEGG COMPOUND
scopolin UniProt
Manual Xrefs Databases
C00002500 KNApSAcK
C01527 KEGG COMPOUND
Scopolin Wikipedia
SCOPOLIN MetaCyc
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Registry Numbers Types Sources
50851 Reaxys Registry Number Reaxys
531-44-2 CAS Registry Number KEGG COMPOUND
531-44-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22032697 PubMed citation Europe PMC
Last Modified
13 November 2017