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CHEBI:233174 - (1S,4S)-4-[(4-hydroxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane]-2',5'-dien-4'-one(1+)

ChEBI IDCHEBI:233174
ChEBI Name(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane]-2',5'-dien-4'-one(1+)
Stars
ASCII Name(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane]-2',5'-dien-4'-one(1+)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H21N2O2
Net Charge+1
Average Mass297.378
Monoisotopic Mass297.15975
SMILESO=C1C=CC2(C=C1)C[C@H]1CN2[C@@H](Cc2ccc(O)cc2)C[NH2+]1
InChIInChI=1S/C18H20N2O2/c21-16-3-1-13(2-4-16)9-15-11-19-14-10-18(20(15)12-14)7-5-17(22)6-8-18/h1-8,14-15,19,21H,9-12H2/p+1/t14-,15-/m0/s1
InChIKeyBJKZTIYMKYACPR-GJZGRUSLSA-O
ChEBI Ontology
Outgoing Relation(s)
(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane]-2',5'-dien-4'-one(1+) (CHEBI:233174) is a secondary ammonium ion (CHEBI:137419)
UniProt Name  Source
(1S,4S)-4-[(4-hydroxyphenyl)methyl]-2,5-diazaspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane]-2',5'-dien-4'-oneUniProt
Citations