Secologanate

Molecular Formula: C₁₆H₂₂O₁₀

InChI: InChI=1/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1/f/h22H

InChIKey: InChIKey=PUEUIRDVQIKCCG-KZAFAVIUDV
SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O

Names:
    C01957
    Secologanate
    (4S,5S,6S)-5-ethenyl-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylic acid

Registries:
    PubChem CID 439612
    PubChem ID 5058