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CHEBI:231589 - 7'-O-demethylcephaeline(2+)

ChEBI IDCHEBI:231589
ChEBI Name7'-O-demethylcephaeline(2+)
Stars
ASCII Name7'-O-demethylcephaeline(2+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H38N2O4
Net Charge+2
Average Mass454.611
Monoisotopic Mass454.28206
SMILES[H][C@]1(C[C@@]2([H])[NH2+]CCc3cc(O)c(O)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CC[NH+]2C[C@@H]1CC
InChIInChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/p+2/t16-,19-,22+,23-/m0/s1
InChIKeyHGQNZTBYUKKJLH-IKPGRFEGSA-P
ChEBI Ontology
Outgoing Relation(s)
7'-O-demethylcephaeline(2+) (CHEBI:231589) is a ammonium ion derivative (CHEBI:35274)
UniProt Name  Source
7'-O-demethylcephaelineUniProt
Manual XrefsDatabases
CPD-14818MetaCyc