6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556)

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CHEBI:229556 - 6-O-methyldeacetylisoipecoside aglycone(1+)

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ChEBI ID	CHEBI:229556
ChEBI Name	6-O-methyldeacetylisoipecoside aglycone(1+)
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ASCII Name	6-O-methyldeacetylisoipecoside aglycone(1+)
Definition	An organic cation that is the conjugate acid of 6-O-methyldeacetylisoipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3.
Last Modified	24 January 2025
Submitter	Anne Morgat
Downloads	Molfile

Formula	C20H26NO6
Net Charge	+1
Average Mass	376.429
Monoisotopic Mass	376.17546
SMILES	[H][C@]1(C=C)[C@H](O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])[NH2+]CCc2cc(OC)c(O)cc21
InChI	InChI=1S/C20H25NO6/c1-4-12-14(15(19(23)26-3)10-27-20(12)24)8-16-13-9-17(22)18(25-2)7-11(13)5-6-21-16/h4,7,9-10,12,14,16,20-22,24H,1,5-6,8H2,2-3H3/p+1/t12-,14+,16+,20-/m1/s1
InChIKey	KOBLTMOWUOJKTH-ZWBYBESUSA-O

ChEBI Ontology

Outgoing Relation(s)
	6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556) is a organic cation (CHEBI:25697)
	6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556) is conjugate acid of 6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530)
Incoming Relation(s)
	6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530) is conjugate base of 6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556)

UniProt Name	Source
6-O-methyldeacetylisoipecoside aglycone	UniProt

Manual Xrefs	Databases
CPD-14813	MetaCyc

Citations