CHEBI:194188 - neomorphinone(1+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name neomorphinone(1+)
ChEBI ID CHEBI:194188
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
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Formula C17H18NO3
Net Charge +1
Average Mass 284.334
Monoisotopic Mass 284.12812
InChI InChI=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
InChIKey KNHGELGZIJONEB-NVGVWMPQSA-O
SMILES [C@@]123C4=C5C(=CC=C4C[C@H](C1=CCC([C@@H]2O5)=O)[NH+](CC3)C)O
ChEBI Ontology
Outgoing neomorphinone(1+) (CHEBI:194188) is a ammonium ion derivative (CHEBI:35274)
Synonym Source
neomorphinone UniProt
Manual Xref Database
CPD-26154 MetaCyc accession
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Citation Waiting for Citations Type Source
30886433 PubMed citation SUBMITTER