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CHEBI:58012 - strictosidine aglycone(1+)

ChEBI IDCHEBI:58012
ChEBI Namestrictosidine aglycone(1+)
Stars
DefinitionConjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H25N2O4
Net Charge+1
Average Mass369.441
Monoisotopic Mass369.18088
SMILES[H][C@@]1(C[C@@H]2C(C(=O)OC)=CO[C@@H](O)[C@@H]2C=C)[NH2+]CCc2c1nc1ccccc21
InChIInChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/p+1/t12-,15+,18+,21-/m1/s1
InChIKeyHXLWDALZXJIPSY-LPIRWUFSSA-O
ChEBI Ontology
Outgoing Relation(s)
strictosidine aglycone(1+) (CHEBI:58012) is a ammonium ion derivative (CHEBI:35274)
strictosidine aglycone(1+) (CHEBI:58012) is a organic cation (CHEBI:25697)
strictosidine aglycone(1+) (CHEBI:58012) is conjugate acid of strictosidine aglycone (CHEBI:17096)
Incoming Relation(s)
strictosidine aglycone (CHEBI:17096) is conjugate base of strictosidine aglycone(1+) (CHEBI:58012)
IUPAC Name 
(1S)-1-{[(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-ethenyl-3,4-dihydro-2H-pyran-4-yl]methyl}-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium
Synonym  Source
strictosidine aglycone cationChEBI
UniProt Name  Source
strictosidine aglyconeUniProt