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Scopoletin

C10H8O4 192.17 g/mol
O H O O O
Name Scopoletin
Alternative name β-Methylesculetin; Gelseminic acid
Formula C10H8O4
Formula Weight 192.17 g/mol
Molecular Weight 192.17 g/mol
Monoisotopic Mass 192.042000 g/mol
InChI Key RODXRVNMMDRFIK-UHFFFAOYSA-N
IUPAC 7-hydroxy-6-methoxy-2H-chromen-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 Berry,  Cocoa/chocolate, 
Food Source Blueberry,  Cocoa, 
Family Phenolic
Class Coumarin
Subclass Group Hydroxycoumarins
Subclass Hydroxycoumarin
Metabolite Coumarin derivative
CASNO 92-61-5
HMDB HMDB0034344
PubChem 5280460
KEGG C01752
FooDB FDB012705
DrugBank DB01904
ChEBI 17488
BioCyc CPD-1097
METLIN 5221.0