Scopolin

Molecular Formula: C₁₆H₂₀O₉

InChI: InChI=1/C16H20O9/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/h4-5,11,13-17,19-21H,2-3,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1

InChIKey: InChIKey=WSHSQJSPOLYHLM-YMILTQATBZ
SMILES: COC1=C(C=C2C(=C1)CCC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O

Names:
    C01527
    Scopolin
    531-44-2
    6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-2-one

Registries:
    PubChem CID 11953803
    PubChem ID 4689