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CHEBI:229555 - 6-O-methyldeacetylisoipecoside(1+)

ChEBI IDCHEBI:229555
ChEBI Name6-O-methyldeacetylisoipecoside(1+)
Stars
ASCII Name6-O-methyldeacetylisoipecoside(1+)
DefinitionAn organic cation that is the conjugate acid of 6-O-methyldeacetylisoipecoside, arising from protonation of the secondary amino group; major species at pH 7.3
Last Modified24 January 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H36NO11
Net Charge+1
Average Mass538.570
Monoisotopic Mass538.22829
SMILES[H][C@]1(C=C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])[NH2+]CCc2cc(OC)c(O)cc21
InChIInChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-18(29)19(34-2)7-12(14)5-6-27-17)16(24(33)35-3)11-36-25(13)38-26-23(32)22(31)21(30)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-32H,1,5-6,8,10H2,2-3H3/p+1/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1
InChIKeyBAMBZZTUDRDYEE-QIAPLWSDSA-O
ChEBI Ontology
Outgoing Relation(s)
6-O-methyldeacetylisoipecoside(1+) (CHEBI:229555) is a ammonium ion derivative (CHEBI:35274)
6-O-methyldeacetylisoipecoside(1+) (CHEBI:229555) is conjugate acid of 6-O-Methyldeacetylisoipecoside (CHEBI:176954)
Incoming Relation(s)
6-O-Methyldeacetylisoipecoside (CHEBI:176954) is conjugate base of 6-O-methyldeacetylisoipecoside(1+) (CHEBI:229555)
UniProt Name  Source
6-O-methyldeacetylisoipecosideUniProt