EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231756 - 11-demethylbrucine(1+)

ChEBI IDCHEBI:231756
ChEBI Name11-demethylbrucine(1+)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H25N2O4
Net Charge+1
Average Mass381.452
Monoisotopic Mass381.18088
SMILESCOc1cc2c(cc1O)N1C(=O)C[C@@H]3OCC=C4C[NH+]5CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@H]56
InChIInChI=1S/C22H24N2O4/c1-27-16-7-13-14(8-15(16)25)24-19(26)9-17-20-12-6-18-22(13,21(20)24)3-4-23(18)10-11(12)2-5-28-17/h2,7-8,12,17-18,20-21,25H,3-6,9-10H2,1H3/p+1/t12-,17-,18-,20-,21-,22+/m0/s1
InChIKeyZOJKSTMZJYKGGH-QOQMYPBTSA-O
ChEBI Ontology
Outgoing Relation(s)
11-demethylbrucine(1+) (CHEBI:231756) is a indole alkaloid cation (CHEBI:60521)
Synonyms  Source
11-demethyl-brucineSUBMITTER
10-methoxy,11-hydroxy-strychnineSUBMITTER
UniProt Name  Source
11-demethylbrucineUniProt
Citations