CHEBI:229554 - deacetylipecoside aglycone(1+)

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ChEBI Name deacetylipecoside aglycone(1+)
ChEBI ID CHEBI:229554
Definition An organic cation that is the conjugate acid of deacetylipecoside 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 C19H24NO6
Net Charge +1
Average Mass 362.401
Monoisotopic Mass 362.15981
InChI InChI=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
InChIKey FITCZSHJHBKURR-WTZBSYPQSA-O
SMILES [C@]1([NH2+]CCC2=C1C=C(O)C(=C2)O)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O)(C=C)[H])[H])[H]
ChEBI Ontology
Outgoing deacetylipecoside aglycone(1+) (CHEBI:229554) is a organic cation (CHEBI:25697)
deacetylipecoside aglycone(1+) (CHEBI:229554) is a terpenoid (CHEBI:26873)
Incoming 6-O-methyl-N-deacetylipecoside aglycone(1+) (CHEBI:229559) has functional parent deacetylipecoside aglycone(1+) (CHEBI:229554)
Synonym Source
N-deacetylipecoside aglycone UniProt
Citation Waiting for Citations Type Source
18927081 PubMed citation SUBMITTER