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CHEBI:231626 - 7-O-methyldeacetylisoipecoside(1+)

ChEBI IDCHEBI:231626
ChEBI Name7-O-methyldeacetylisoipecoside(1+)
Stars
ASCII Name7-O-methyldeacetylisoipecoside(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
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(O)c(OC)cc21
InChIInChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-19(34-2)18(29)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
InChIKeyLJWLPPYGYDAGSL-QIAPLWSDSA-O
ChEBI Ontology
Outgoing Relation(s)
7-O-methyldeacetylisoipecoside(1+) (CHEBI:231626) is a ammonium ion derivative (CHEBI:35274)
UniProt Name  Source
7-O-methyldeacetylisoipecosideUniProt
Citations