Loganic acid

Molecular Formula: C16H23O10-


InChI: InChI=1/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1/fC16H23O10/q-1

InChIKey: InChIKey=JNNGEAWILNVFFD-ZVTRPSLYDZ
SMILES: [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C([O-])=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Names:
    CHEBI:18052
    Loganate
    loganate
    Loganic acid
    (1R,2S,6S,8S,9R)-8-hydroxy-9-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylate
    (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Registries:
    PubChem CID 5460138
    ChEBI 18052
    Kegg C01512
    PubChem ID 4678
    PubChem ID 8144850