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CHEBI:194188 - neomorphinone(1+)

Default Structure
ChEBI IDCHEBI:194188
ChEBI Nameneomorphinone(1+)
Stars
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H18NO3
Net Charge+1
Average Mass284.335
Monoisotopic Mass284.12812
SMILESC[NH+]1CC[C@@]23C4=CCC(=O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41
InChIInChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-4,11,16,19H,5-8H2,1H3/p+1/t11-,16+,17+/m1/s1
InChIKeyKNHGELGZIJONEB-NVGVWMPQSA-O
ChEBI Ontology
Outgoing Relation(s)
neomorphinone(1+) (CHEBI:194188) is a ammonium ion derivative (CHEBI:35274)
UniProt Name  Source
neomorphinoneUniProt
Manual XrefsDatabases
CPD-26154MetaCyc
Citations