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Seselinol isovalerate

C19H20O5 328.4 g/mol
O H O O O
Name Seselinol isovalerate
Alternative name Scopolin
Formula C19H20O5
Formula Weight 328.40 g/mol
Molecular Weight 328.40 g/mol
Monoisotopic Mass 328.131000 g/mol
InChI Key ONHZLVDNABLAEK-UHFFFAOYSA-N
IUPAC (8-methyl-2-oxopyrano[2,3-f]chromen-8-yl)methyl 3-methylbutanoate
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 Grains
Food Source Barley
Family Phenolic
Class Coumarin
Subclass Group Coumarin derivative
Subclass Hydroxycoumarin
Metabolite Coumarin derivative
CASNO 531-44-2
HMDB HMDB0034344
PubChem 15101828
KEGG C01752
FooDB FDB012705
DrugBank DB01904
ChEBI 17488
BioCyc CPD-1097
METLIN 5221.0