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Scopoletin-glucoside

C16H18O9 354.31 g/mol
O H O O O
Name Scopoletin-glucoside
Alternative name Scopolin
Formula C16H18O9
Formula Weight 354.31 g/mol
Molecular Weight 354.31 g/mol
Monoisotopic Mass 354.095000 g/mol
InChI Key SGTCGCCQZOUMJJ-YMILTQATSA-N
IUPAC 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
SMILES COC1=C(O)C=C2OC(=O)C=CC2=C1
Food Cocoa/chocolate, 
Food Source Cocoa, 
Family Phenolic
Class Coumarin
Subclass Group Hydroxycoumarins
Subclass Hydroxycoumarin
Metabolite Coumarin derivative
CASNO 531-44-2
HMDB HMDB0034344
PubChem 439514
KEGG C01752
FooDB FDB012705
DrugBank DB01904
ChEBI 17488
BioCyc CPD-1097
METLIN 5221.0