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CHEBI:229557 - N-deacetylisoipecoside aglycone(1+)

Default Structure
ChEBI IDCHEBI:229557
ChEBI NameN-deacetylisoipecoside aglycone(1+)
Stars
ASCII NameN-deacetylisoipecoside aglycone(1+)
DefinitionAn organic cation that is the conjugate acid of N-deacetylisoipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3.
Last Modified24 January 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H24NO6
Net Charge+1
Average Mass362.402
Monoisotopic Mass362.15981
SMILES[H][C@]1(C=C)[C@H](O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])[NH2+]CCc2cc(O)c(O)cc21
InChIInChI=1S/C19H23NO6/c1-3-11-13(14(18(23)25-2)9-26-19(11)24)7-15-12-8-17(22)16(21)6-10(12)4-5-20-15/h3,6,8-9,11,13,15,19-22,24H,1,4-5,7H2,2H3/p+1/t11-,13+,15+,19-/m1/s1
InChIKeyFITCZSHJHBKURR-UJFVYYJSSA-O
ChEBI Ontology
Outgoing Relation(s)
N-deacetylisoipecoside aglycone(1+) (CHEBI:229557) is a organic cation (CHEBI:25697)
UniProt Name  Source
deacetylisoipecoside aglyconeUniProt
Citations