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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-O-methyldeacetylisoipecoside aglycone(1+)
ChEBI ID CHEBI:229556
ChEBI 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.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C20H26NO6
Net Charge +1
Average Mass 376.428
Monoisotopic Mass 376.17546
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
SMILES [C@@]1([NH2+]CCC2=C1C=C(O)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O)(C=C)[H])[H])[H]
ChEBI Ontology
Outgoing 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 6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530) is conjugate base of 6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556)
Synonym Source
6-O-methyl-N-deacetylisoipecoside aglycone UniProt
Manual Xref Database
CPD-14813 MetaCyc accession
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Citation Waiting for Citations Type Source
18927081 PubMed citation SUBMITTER