deacetylipecoside

Molecular Formula: C25H33NO11


InChI: InChI=1/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1

InChIKey: InChIKey=MTAVTRZTGFLKSC-MDXCLUIBBA
SMILES: [H][C@]3(C[C@]1([H])C(=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]1([H])C=C)C(=O)OC)NCCC4=C3C=C(O)C(O)=C4

Names:
    CHEBI:18106
    Deacetylipecoside
    deacetylipecoside
    methyl (2S,3R,4S)-3-ethenyl-4-{[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl
    methyl (4S,5S,6S)-4-[[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate

Registries:
    PubChem CID 441259
    ChEBI 18106
    Kegg C07307
    PubChem ID 8143887
    PubChem ID 9515